UCSF

ZINC37325818

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 19 Yes

Popular Name: 7-benzyl-1,3,7-triazaspiro[4.5]decane-2,4-dione 7-benzyl-1,3,7-triazaspiro[4.5]d…

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CAS Number: 28937-10-2

Other Names:

MFCD12634012

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) 1.00 1.06 -48.97 2 5 0 69 259.309 2 ↓
Mid Mid (pH 6-8) 0.82 3.72 -46.7 3 5 1 63 260.317 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 209 - 211 Enamine Building Blocks
MP 209...211 Enamine Building Blocks
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.