UCSF

ZINC00465428

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 19 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) 2.85 -2.37 -9.45 1 4 0 55 281.308 4
Hi High (pH 8-9.5) 2.85 -1.81 -43.95 0 4 -1 57 280.3 4

Activity (Go SEA)

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