UCSF

ZINC04234700

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 18 Yes

Popular Name: 5-(3,4,5-Trimethoxyphenyl)-1H-pyrazol-3-amine 5-(3,4,5-Trimethoxyphenyl)-1H-py…

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CAS Numbers: , 1025447-52-2 , 502133-05-3

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) 1.23 2.47 -10.25 3 6 0 82 249.27 4 ↓
Mid Mid (pH 6-8) 1.23 2.61 -37.83 4 6 1 84 250.278 4 ↓
Mid Mid (pH 6-8) 1.23 2.5 -10.99 3 6 0 82 249.27 4 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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