UCSF

ZINC39122267

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 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) 2.46 7.08 -40.38 3 4 1 59 250.366 6
Mid Mid (pH 6-8) 2.46 6.57 -13.39 2 4 0 58 249.358 6
Mid Mid (pH 6-8) 2.46 6.59 -13.96 2 4 0 58 249.358 6

Activity (Go SEA)

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