UCSF

ZINC28367259

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2009 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) -1.36 10.99 -46.7 1 8 1 95 484.532 5

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z81115-2-O KB (Squamous Cell Carcinoma) (cluster #2 Of 6), Other Other 1300 0.23 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z81115 Z81115 KB (Squamous Cell Carcinoma) 1300 0.23 Functional ≤ 10μM

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