UCSF

ZINC07274741

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 5.82 -55.69 0 6 -1 83 337.355 6
Lo Low (pH 4.5-6) 0.49 -1.09 -12.63 0 6 0 76 338.363 6
Lo Low (pH 4.5-6) 1.07 -0.75 -50.92 2 6 1 80 339.371 6
Lo Low (pH 4.5-6) 1.07 5.06 -11.18 1 6 0 80 338.363 6

Activity (Go SEA)

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