UCSF

ZINC16951267

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 11 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) 1.13 1.21 -10.35 1 3 0 42 151.165 0
Mid Mid (pH 6-8) 1.59 -0.53 -47.87 0 3 -1 45 150.157 0

Activity (Go SEA)

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