UCSF

ZINC19885612

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 18 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) 1.58 6.17 -46.5 2 5 1 61 248.306 5
Mid Mid (pH 6-8) 1.58 4.98 -15.09 1 5 0 56 247.298 5
Mid Mid (pH 6-8) 1.58 6.64 -110.71 3 5 2 62 249.314 5
Mid Mid (pH 6-8) 1.58 5.44 -30.99 2 5 1 57 248.306 5

Activity (Go SEA)

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