UCSF

ZINC67514608

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-(8-hydroxy-7-quinolyl)methanone (1,4-dimethyl-1,4,9-triazaspiro[…

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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) 1.52 4.89 -43.9 2 6 1 61 355.462 1 ↓
Hi High (pH 8-9.5) 1.52 3.81 -62.28 0 6 -1 63 353.446 1 ↓
Mid Mid (pH 6-8) 1.52 5.71 -73.66 1 6 0 64 354.454 1 ↓

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

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