UCSF

ZINC05386157

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 17 No

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) 2.56 9.85 -8.43 0 5 0 64 229.239 3
Mid Mid (pH 6-8) 2.56 10.01 -30.8 1 5 1 65 230.247 3

Activity (Go SEA)

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