UCSF

ZINC39309135

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 34 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) 4.25 13.1 -45.44 1 7 1 73 498.39 7
Mid Mid (pH 6-8) 4.25 12.58 -13.91 0 7 0 71 497.382 7

Activity (Go SEA)

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