UCSF

ZINC66054700

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 18 Yes

Popular Name: 2-CBZ-2,5-DIAZASPIRO[3.4]OCTANE 2-CBZ-2,5-DIAZASPIRO[3.4]OCTANE

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CAS Number: 1272758-05-0

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) 1.89 5.66 -41.66 2 4 1 46 247.318 3 ↓
Hi High (pH 8-9.5) 1.89 4.38 -9.11 1 4 0 42 246.31 3 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

Rings

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

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