UCSF

ZINC37032955

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 No

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) 0.48 1.69 -9.71 2 6 0 66 294.38 3
Mid Mid (pH 6-8) 0.48 3.05 -46.17 3 6 1 71 295.388 3
Mid Mid (pH 6-8) 0.48 2.02 -37.52 3 6 1 68 295.388 3
Mid Mid (pH 6-8) 0.48 3.39 -94.04 4 6 2 72 296.396 3

Activity (Go SEA)

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