UCSF

ZINC05376824

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 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) 4.46 9.02 -94.44 0 5 -2 84 336.372 4
Lo Low (pH 4.5-6) 4.46 9.71 -52.57 1 5 -1 82 337.38 4

Activity (Go SEA)

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