UCSF

ZINC01671919

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 27 Yes

Other Names:

NSC-40331

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.11 1.85 -9.57 1 3 0 32 358.485 8

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CETP-1-E Cholesteryl Ester Transfer Protein (cluster #1 Of 3), Eukaryotic Eukaryotes 6500 0.27 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CETP_RABIT P22687 Cholesteryl Ester Transfer Protein, Rabit 6500 0.27 Binding ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )