UCSF

ZINC05812116

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2006 22 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) 1.50 1.75 -13.3 3 5 0 87 298.294 1
Hi High (pH 8-9.5) 1.50 2.25 -46.07 2 5 -1 90 297.286 1
Hi High (pH 8-9.5) 1.50 1.89 -50.77 2 5 -1 90 297.286 1

Activity (Go SEA)

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