UCSF

ZINC05285960

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2006 14 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) 2.23 7.59 -24.15 2 3 1 31 188.254 0
Hi High (pH 8-9.5) 2.23 7.12 -10.21 1 3 0 30 187.246 0

Activity (Go SEA)

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