UCSF

ZINC43070060

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2010 28 Yes

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) 4.88 8.98 -14.16 2 5 0 71 377.488 4
Lo Low (pH 4.5-6) 4.88 9.36 -34.34 3 5 1 72 378.496 4

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80088-2-O CHO (Ovarian Cells) (cluster #2 Of 4), Other Other 110 0.35 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80088 Z80088 CHO (Ovarian Cells) 100 0.35 Functional ≤ 10μM

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