UCSF

ZINC42816377

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 1.71 8.8 -48.87 2 4 1 44 272.372 5
Hi High (pH 8-9.5) 1.71 7.37 -7.66 1 4 0 39 271.364 5
Mid Mid (pH 6-8) 1.71 9.32 -86.51 3 4 2 45 273.38 5

Activity (Go SEA)

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