UCSF

ZINC04234668

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 14 Yes

Popular Name: 3-(4-ethylphenyl)-1H-pyrazol-5-amine 3-(4-ethylphenyl)-1H-pyrazol-5-a…

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CAS Number: 501902-70-1

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) 2.51 4.8 -7.08 3 3 0 55 187.246 2 ↓
Mid Mid (pH 6-8) 2.51 4.92 -27.97 4 3 1 56 188.254 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 121 - 123 KeyOrganics
Warnings IRRITANT Matrix Scientific

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