UCSF

ZINC05285930

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 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) 1.40 3.19 -7.97 2 3 0 49 188.23 2
Mid Mid (pH 6-8) 1.40 3.65 -31.95 3 3 1 50 189.238 2

Activity (Go SEA)

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