UCSF

ZINC05130113

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2006 25 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) 0.78 -0.46 -17.36 5 8 0 140 339.355 5
Lo Low (pH 4.5-6) 0.78 0.4 -64.85 6 8 1 142 340.363 5

Activity (Go SEA)

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