UCSF

ZINC67489833

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 28 Yes

Popular Name: 1-[4-[(2-butyl-1H-imidazol-4-yl)methyl]-1-methyl-1,4,9-triazaspiro[5.5]undecan-9-yl]-2,2-dimethyl-pr 1-[4-[(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) 3.10 8.99 -97.17 3 6 2 58 391.604 6 ↓
Mid Mid (pH 6-8) 3.10 6.82 -40.93 2 6 1 57 390.596 6 ↓
Mid Mid (pH 6-8) 3.10 8.58 -44.1 2 6 1 57 390.596 6 ↓

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

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