UCSF

ZINC69512305

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 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) 2.62 6.51 -8.39 2 5 0 68 271.32 5
Lo Low (pH 4.5-6) 2.62 6.76 -100.68 4 5 2 71 273.336 5
Lo Low (pH 4.5-6) 2.62 6.3 -44.07 3 5 1 70 272.328 5
Lo Low (pH 4.5-6) 2.62 6.96 -37 3 5 1 70 272.328 5

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.