UCSF

ZINC07274764

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 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) 1.07 5.6 -57.37 0 6 -1 83 337.355 6
Lo Low (pH 4.5-6) 1.07 -0.64 -50.96 2 6 1 80 339.371 6
Lo Low (pH 4.5-6) 1.07 4.83 -12.66 1 6 0 80 338.363 6

Activity (Go SEA)

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