UCSF

ZINC08586036

Substance Information

In ZINC since Heavy atoms Benign functionality
June 11th, 2007 17 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) -0.96 2.15 -11.68 2 6 0 78 234.259 2
Mid Mid (pH 6-8) -0.96 2.66 -42.83 3 6 1 79 235.267 2

Activity (Go SEA)

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