UCSF

ZINC20362927

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 18 Yes

Popular Name: 7-benzyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione 7-benzyl-1,3,7-triazaspiro[4.4]n…

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CAS Number: 28863-87-8

Other Names:

MFCD13196848

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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) 0.73 0.8 -51.59 2 5 0 69 245.282 2 ↓
Lo Low (pH 4.5-6) 0.55 2.59 -50.96 3 5 1 63 246.29 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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Rings

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

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