UCSF

ZINC22756331

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 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) 1.91 0.61 -21.19 3 6 0 106 340.426 5
Hi High (pH 8-9.5) 1.91 1.37 -95.39 1 6 -2 106 338.41 5
Hi High (pH 8-9.5) 1.91 1.29 -46.48 2 6 -1 104 339.418 5
Hi High (pH 8-9.5) 1.91 0.68 -55.94 2 6 -1 108 339.418 5

Activity (Go SEA)

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