UCSF

ZINC52574603

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2010 15 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) 0.53 5.99 -45.5 2 4 1 47 209.317 5
Lo Low (pH 4.5-6) 0.53 6.42 -87.43 3 4 2 49 210.325 5

Activity (Go SEA)

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