UCSF

ZINC05387527

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 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) 0.50 1.44 -26.37 7 5 1 105 194.193 0
Mid Mid (pH 6-8) 0.50 0.96 -7.86 6 5 0 104 193.185 0

Activity (Go SEA)

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