UCSF

ZINC34996651

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 1.25 8.68 -40.66 2 4 1 34 271.388 4
Mid Mid (pH 6-8) 1.25 8.01 -88.82 3 4 2 39 272.396 4
Lo Low (pH 4.5-6) 1.25 9.87 -117.74 3 4 2 39 272.396 4
Lo Low (pH 4.5-6) 1.25 9.2 -73.37 3 4 2 36 272.396 4
Lo Low (pH 4.5-6) 1.25 10.39 -163.78 4 4 3 40 273.404 4

Activity (Go SEA)

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