UCSF

ZINC04865892

Substance Information

In ZINC since Heavy atoms Benign functionality
January 8th, 2006 20 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) 3.44 8.25 -10.63 1 3 0 42 268.36 5
Lo Low (pH 4.5-6) 3.44 8.72 -37.56 2 3 1 43 269.368 5

Activity (Go SEA)

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