UCSF

ZINC26167547

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 20 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) 3.44 10.1 -43.86 1 2 1 14 266.364 2
Mid Mid (pH 6-8) 3.44 7.67 -4.72 0 2 0 12 265.356 2

Activity (Go SEA)

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