UCSF

ZINC67457990

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Substance Information

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

Popular Name: 2-(5-methyl-1-oxo-2,5,9-triazaspiro[5.5]undecan-9-yl)quinoline-4-carboxylic 2-(5-methyl-1-oxo-2,5,9-triazasp…

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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) 1.65 7.55 -87.92 3 7 1 91 355.418 2 ↓
Hi High (pH 8-9.5) 1.65 5.1 -53.28 1 7 -1 89 353.402 2 ↓
Mid Mid (pH 6-8) 1.65 7.28 -78.45 2 7 0 90 354.41 2 ↓
Mid Mid (pH 6-8) 1.65 5.38 -38.57 2 7 0 90 354.41 2 ↓

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

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