UCSF

ZINC12222801

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 26 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) 3.56 -0.59 -12.1 1 5 0 60 350.466 6
Lo Low (pH 4.5-6) 3.56 -0.52 -44.93 2 5 1 61 351.474 6
Lo Low (pH 4.5-6) 3.56 -0.46 -41.08 2 5 1 61 351.474 6
Lo Low (pH 4.5-6) 3.56 -0.39 -87.88 3 5 2 62 352.482 6

Activity (Go SEA)

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

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