UCSF

ZINC00533132

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 22 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) 3.42 7.26 -12.02 1 5 0 58 295.342 3
Lo Low (pH 4.5-6) 3.42 7.6 -27.5 2 5 1 60 296.35 3

Activity (Go SEA)

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