UCSF

ZINC42420184

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 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) -1.83 1.06 -69.21 3 6 0 89 187.199 2
Mid Mid (pH 6-8) -1.83 -0.28 -42.97 2 6 -1 84 186.191 2

Activity (Go SEA)

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