UCSF

ZINC38154017

Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2010 36 No

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) 5.48 12.66 -14.21 1 8 0 100 496.604 7
Mid Mid (pH 6-8) 5.48 12.96 -46.76 2 8 1 101 497.612 7
Mid Mid (pH 6-8) 5.48 13.11 -43.05 2 8 1 101 497.612 7

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80002-2-O 1A9 (Ovarian Adenocarcinoma Cells) (cluster #2 Of 2), Other Other 340 0.25 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80002 Z80002 1A9 (Ovarian Adenocarcinoma Cells) 340 0.25 Functional ≤ 10μM

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