UCSF

ZINC05816052

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2006 13 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) -0.39 0.09 -39.87 0 6 -1 77 221.287 3
Lo Low (pH 4.5-6) -0.39 -1.36 -41.85 1 6 0 78 222.295 3
Lo Low (pH 4.5-6) -0.39 0.03 -13.38 1 6 0 75 222.295 3

Activity (Go SEA)

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