UCSF

ZINC71790825

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2012 14 Yes

Popular Name: tert-butyl 1,6-diazaspiro[3.3]heptane-6-carboxylate tert-butyl 1,6-diazaspiro[3.3]he…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1272412-72-2 , [1272412-72-2]

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) 1.21 2.65 -45.45 2 4 1 46 199.274 2 ↓
Hi High (pH 8-9.5) 1.21 0.98 -6.22 1 4 0 42 198.266 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Rings

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

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