UCSF

ZINC67491175

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 26 Yes

Popular Name: 9-[2-(1H-imidazol-2-yl)benzoyl]-5-methyl-2,5,9-triazaspiro[5.5]undecan-1-one 9-[2-(1H-imidazol-2-yl)benzoyl]-…

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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) 0.42 5.97 -50.98 3 7 1 83 354.434 2 ↓
Mid Mid (pH 6-8) 0.42 3.46 -33.1 3 7 1 83 354.434 2 ↓
Mid Mid (pH 6-8) 0.42 5.64 -91.16 4 7 2 84 355.442 2 ↓
Mid Mid (pH 6-8) 0.42 3.79 -17.82 2 7 0 81 353.426 2 ↓

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Rings

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

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