UCSF

ZINC12526185

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 23 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) 2.68 1.36 -14.95 2 6 0 92 378.834 5
Hi High (pH 8-9.5) 2.68 1.46 -40.38 1 6 -1 94 377.826 5
Hi High (pH 8-9.5) 2.68 1.45 -39.83 1 6 -1 94 377.826 5
Hi High (pH 8-9.5) 2.68 1.55 -94.18 0 6 -2 96 376.818 5

Activity (Go SEA)

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