UCSF

ZINC51119178

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2010 26 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) 3.51 7.84 -8.68 0 5 0 34 356.466 9
Mid Mid (pH 6-8) 3.51 10.12 -37.2 1 5 1 35 357.474 9

Activity (Go SEA)

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