UCSF

ZINC38252212

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 15 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) -1.60 -1.13 -8.92 1 6 0 74 216.189 0
Hi High (pH 8-9.5) -1.60 -0.59 -48.35 0 6 -1 77 215.181 0

Activity (Go SEA)

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