UCSF

ZINC42063185

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 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) -1.57 -0.9 -6.88 3 4 0 64 178.191 1
Mid Mid (pH 6-8) -1.57 -0.58 -46.54 4 4 1 66 179.199 1

Activity (Go SEA)

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