UCSF

ZINC54832173

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2010 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) 2.33 6.54 -37.01 2 4 1 55 271.388 5
Hi High (pH 8-9.5) 2.33 5.31 -9.16 1 4 0 51 270.38 5
Lo Low (pH 4.5-6) 2.33 6.95 -82.41 3 4 2 57 272.396 5

Activity (Go SEA)

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

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