UCSF

ZINC34652125

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 16 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) 1.71 8.39 -48.11 2 3 1 34 216.308 5
Mid Mid (pH 6-8) 1.71 8.91 -85.58 3 3 2 36 217.316 5

Activity (Go SEA)

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