UCSF

ZINC71790343

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2012 18 Yes

Popular Name: 1-benzyl-1,4-diazaspiro[5.5]undecane 1-benzyl-1,4-diazaspiro[5.5]unde…

Find On: PubMed — Wikipedia — Google

CAS Number: 1342502-29-7

Other Names:

MFCD20427737

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) 3.01 6.12 -38.81 2 2 1 20 245.39 2 ↓
Hi High (pH 8-9.5) 3.01 4.96 -1.91 1 2 0 15 244.382 2 ↓

Vendor Notes

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

Activity (Go SEA)

Rings

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

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