UCSF

ZINC40334889

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 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) 0.49 -1.58 -10.94 3 6 0 87 295.364 3
Hi High (pH 8-9.5) 0.49 -0.81 -43.92 2 6 -1 90 294.356 3
Lo Low (pH 4.5-6) 0.49 0.68 -46.38 4 6 1 88 296.372 3

Activity (Go SEA)

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

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