UCSF

ZINC44133860

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 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) 1.33 2.96 -6.98 1 4 0 46 272.348 6
Mid Mid (pH 6-8) 1.33 5.37 -38.83 2 4 1 47 273.356 6

Activity (Go SEA)

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