UCSF

ZINC65529376

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 25 Yes

Popular Name: 4-ethyl-2-methyl-5-[[1-[(1-propylimidazol-2-yl)methyl]-4-piperidyl]methyl]-1,2,4-triazol-3-one 4-ethyl-2-methyl-5-[[1-[(1-propy…

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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) 1.07 9.85 -38.9 1 7 1 62 347.487 7 ↓
Hi High (pH 8-9.5) 1.07 9.39 -14.55 0 7 0 61 346.479 7 ↓
Mid Mid (pH 6-8) 1.07 12.03 -119.77 2 7 2 63 348.495 7 ↓
Lo Low (pH 4.5-6) 1.07 11.63 -50.13 1 7 1 62 347.487 7 ↓

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Rings

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

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