UCSF

ZINC09151295

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2007 34 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) 4.69 -1.53 -15.76 1 6 0 69 478.593 11
Lo Low (pH 4.5-6) 4.69 -1.39 -45.68 2 6 1 70 479.601 11

Activity (Go SEA)

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