UCSF

ZINC06667695

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2006 9 Yes

Popular Name: (3-Ethylisoxazol-5-yl)methanamine (3-Ethylisoxazol-5-yl)methanamine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 145689-96-9 , 790254-36-3 , [145689-96-9] , [790254-36-3]

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) 0.64 1.44 -49.51 3 3 1 54 127.167 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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