UCSF

ZINC05296004

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2006 30 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) 5.82 8.3 -14.44 3 6 0 90 404.514 5
Lo Low (pH 4.5-6) 5.82 8.57 -37.68 4 6 1 92 405.522 5

Activity (Go SEA)

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