UCSF

ZINC02547923

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 6 Yes

Popular Name: 3-methoxyazetidine hydrochloride 3-methoxyazetidine hydrochloride

Find On: PubMed — Wikipedia — Google

CAS Numbers: 110925-17-2 , 148644-09-1 , 928038-44-2 , [110925-17-2] , [148644-09-1]

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) -0.07 -0.26 -37.49 2 2 1 26 88.13 1 ↓
Hi High (pH 8-9.5) -0.07 -1.86 -2.34 1 2 0 21 87.122 1 ↓
Hi High (pH 8-9.5) 4.39 6.95 -6.93 2 4 0 58 391.298 6 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 143-149? Alfa-Aesar
Boiling_Point 143-149° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks
MP 93 - 95 Enamine Building Blocks
MP 93...95 Enamine Building Blocks
purity 95 Enamine Building Blocks
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.