UCSF

ZINC01735149

Substance Information

In ZINC since Heavy atoms Benign functionality
January 16th, 2006 10 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) 1.52 6.54 -26.81 1 2 1 19 139.222 3
Ref Reference (pH 7) -1.89 6.46 -26.66 1 2 1 20 139.222 3
Mid Mid (pH 6-8) 1.52 6.05 -6.46 0 2 0 18 138.214 3

Activity (Go SEA)

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