Name: ZINC-250k
Creator: Kaggle
License: http://opendatacommons.org/licenses/dbcl/1.0/

About this Dataset

ZINC-250k

ZINC is a free database of commercially-available compounds for virtual screening. ZINC contains over 230 million purchasable compounds in ready-to-dock, 3D formats. ZINC also contains over 750 million purchasable compounds that can be searched for analogues.

Tables

N 250k Rndm Zinc Drugs Clean 3

@kaggle.basu369victor_zinc250k.n_250k_rndm_zinc_drugs_clean_3

11.85 MB
249,455 rows
4 columns

CREATE TABLE n_250k_rndm_zinc_drugs_clean_3 (
  "smiles" VARCHAR,
  "logp" DOUBLE,
  "qed" DOUBLE,
  "sas" DOUBLE
);