UCSF

ZINC44509306

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 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) 1.72 6.19 -44.3 3 4 1 54 235.355 5
Mid Mid (pH 6-8) 1.72 6.58 -81.35 4 4 2 56 236.363 5

Activity (Go SEA)

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