UCSF

ZINC13424153

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 14 Yes

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

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CAS Numbers: 1187767-15-2 , 1238277-87-6

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) 2.63 4.47 -6.56 3 3 0 55 207.664 1 ↓
Lo Low (pH 4.5-6) 2.63 4.62 -28.69 4 3 1 56 208.672 1 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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Rings

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