UCSF

ZINC09151224

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2007 35 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) 4.58 -2.15 -16.33 1 6 0 72 479.609 8
Lo Low (pH 4.5-6) 4.58 -2.01 -44.71 2 6 1 73 480.617 8
Lo Low (pH 4.5-6) 4.58 -2.09 -47.2 2 6 1 73 480.617 8
Lo Low (pH 4.5-6) 4.58 -1.96 -81.34 3 6 2 75 481.625 8

Activity (Go SEA)

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