UCSF

ZINC67965677

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 25 Yes

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

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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) 1.40 10.59 -124.83 3 7 2 74 348.495 7 ↓
Mid Mid (pH 6-8) 1.40 10.14 -61.26 2 7 1 73 347.487 7 ↓
Mid Mid (pH 6-8) 1.40 8.32 -42.1 2 7 1 73 347.487 7 ↓

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

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