UCSF

ZINC22031085

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 21 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) 1.04 -0.53 -8.99 2 5 0 56 294.395 7
Mid Mid (pH 6-8) 1.04 1.84 -44.52 3 5 1 57 295.403 7
Mid Mid (pH 6-8) 1.04 1.87 -38.28 3 5 1 57 295.403 7

Activity (Go SEA)

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