UCSF

ZINC00386705

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 20 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) 3.26 8.65 -50.06 0 4 -1 60 280.388 5
Lo Low (pH 4.5-6) 3.26 7.53 -7.85 1 4 0 58 281.396 5

Activity (Go SEA)

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