UCSF

ZINC67473315

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 25 No

Popular Name: 1-[2-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-oxo-ethyl]-5,5-dimethyl-imidazolidine-2,4-d 1-[2-(1,9-dimethyl-1,4,9-triazas…

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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) -0.28 3.32 -40.79 2 8 1 77 352.459 2 ↓
Hi High (pH 8-9.5) -0.10 0.73 -64.8 1 8 0 84 351.451 2 ↓
Lo Low (pH 4.5-6) -0.28 5.53 -110.83 3 8 2 79 353.467 2 ↓

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

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