UCSF

ZINC34549161

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 17 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) 0.12 3.96 -10.73 2 4 0 56 234.299 2
Lo Low (pH 4.5-6) 0.12 3.83 -53.58 3 4 1 57 235.307 2

Activity (Go SEA)

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