UCSF

ZINC11920320

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2008 12 Yes

Popular Name: N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]ethanamine N-[(1,3,5-trimethyl-1H-pyrazol-4…

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CAS Numbers: 1007520-32-2 , [1007520-32-2]

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) 0.69 4.02 -40.51 2 3 1 34 168.264 3 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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