UCSF

ZINC13483594

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 14 Yes

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

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CAS Number: 1093060-49-1

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) 2.65 4.42 -6.42 3 3 0 55 207.664 1 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific
Warnings Irritant/Stored under Argon Matrix Scientific

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