UCSF

ZINC19845295

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 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) 1.27 3.37 -49.98 1 5 0 61 235.287 3
Mid Mid (pH 6-8) 1.27 5.38 -67.7 1 5 0 61 235.287 3
Mid Mid (pH 6-8) 1.27 5.68 -102.78 2 5 1 62 236.295 3
Mid Mid (pH 6-8) 1.27 3.07 -46.42 0 5 -1 59 234.279 3

Activity (Go SEA)

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