UCSF

ZINC34332099

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 13 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) -0.56 1.72 -45.1 4 3 1 57 177.227 0
Hi High (pH 8-9.5) -0.56 1.38 -5.54 3 3 0 55 176.219 0

Activity (Go SEA)

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