UCSF

ZINC29393939

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2009 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) -1.54 -7.37 -51.04 10 8 1 161 232.655 2
Mid Mid (pH 6-8) -1.54 -7.68 -8.78 9 8 0 159 231.647 2

Activity (Go SEA)

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