UCSF

ZINC42062770

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2010 15 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) -0.71 0.85 -5.69 3 3 0 55 216.162 1
Mid Mid (pH 6-8) -0.71 1.16 -47.8 4 3 1 57 217.17 1
Lo Low (pH 4.5-6) -0.71 1.16 -47.82 4 3 1 57 217.17 1

Activity (Go SEA)

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