UCSF

ZINC34928903

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 11 Yes

Popular Name: [(3-Isopropylisoxazol-5-yl)methyl]methylamine [(3-Isopropylisoxazol-5-yl)methy…

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CAS Numbers: 942519-65-5 , [942519-65-5]

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) 1.50 3.46 -44.57 2 3 1 43 155.221 3 ↓
Hi High (pH 8-9.5) 1.50 2 -6.45 1 3 0 38 154.213 3 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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