UCSF

ZINC05178806

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2006 14 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) -2.83 -3 -225.55 2 8 -3 151 246.072 6
Lo Low (pH 4.5-6) -2.83 -4.1 -133.48 3 8 -2 148 247.08 6
Lo Low (pH 4.5-6) -2.83 -5.19 -52.95 4 8 -1 145 248.088 6

Activity (Go SEA)

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