UCSF

ZINC05876132

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 24 No

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) 5.34 5.64 -14.1 3 5 0 82 340.766 3
Hi High (pH 8-9.5) 5.34 6.64 -55.38 2 5 -1 85 339.758 3
Hi High (pH 8-9.5) 5.34 6.4 -60.12 2 5 -1 85 339.758 3

Activity (Go SEA)

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