UCSF

ZINC67935228

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 23 Yes

Popular Name: 3-[(2-butyl-1H-imidazol-4-yl)methyl]-7-methyl-3,7,10-triazaspiro[5.5]undecan-11-one 3-[(2-butyl-1H-imidazol-4-yl)met…

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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) 1.15 2.43 -30.72 3 6 1 66 320.461 5 ↓
Hi High (pH 8-9.5) 1.15 1.99 -8.84 2 6 0 64 319.453 5 ↓
Mid Mid (pH 6-8) 1.15 4.25 -37.17 3 6 1 65 320.461 5 ↓
Mid Mid (pH 6-8) 1.15 4.7 -97.45 4 6 2 67 321.469 5 ↓
Lo Low (pH 4.5-6) 1.15 4.6 -82.44 4 6 2 67 321.469 5 ↓

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

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