UCSF

ZINC42430519

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 18 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) 0.71 4.48 -62.67 3 5 0 86 252.314 6
Lo Low (pH 4.5-6) 0.71 2.53 -46.02 4 5 1 83 253.322 6

Activity (Go SEA)

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