UCSF

ZINC71790872

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2012 13 No

Popular Name: 6-(aminomethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione hydrochloride 6-(aminomethyl)-1,3-diazaspiro[4…

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CAS Numbers: 1354961-90-2 , 1355004-86-2

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) -0.93 -2.1 -52.27 5 5 1 86 184.219 1 ↓
Hi High (pH 8-9.5) -0.74 -4.73 -62.84 4 5 0 92 183.211 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 264 - 266 Enamine Building Blocks
MP 264...266 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.