UCSF

ZINC04487629

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 4th, 2005 15 Yes

Popular Name: 2-(4-Chloro-benzyl)-5-methyl-2H-pyrazol-3-ylamine 2-(4-Chloro-benzyl)-5-methyl-2H-…

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CAS Numbers: 1431964-92-9 , 3524-41-2 , [3524-41-2]

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) 2.49 6.08 -7.34 2 3 0 44 221.691 2 ↓
Mid Mid (pH 6-8) 2.49 6.21 -30.74 3 3 1 45 222.699 2 ↓

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% )