UCSF

ZINC21297168

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 8 Yes

Popular Name: Methyl azetidine-3-carboxylate hydrochloride Methyl azetidine-3-carboxylate h…

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CAS Numbers: 100202-39-9 , 343238-58-4 , 405090-31-5 , [100202-39-9]

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) 0.19 1.33 -44.08 2 3 1 43 116.14 2 ↓
Mid Mid (pH 6-8) 0.19 -0.3 -5.81 1 3 0 38 115.132 2 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 187-192? Alfa-Aesar
Boiling_Point 187-192° Alfa-Aesar
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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