UCSF

ZINC00336660

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 18 Yes

Popular Name: 4-(3,4-Dimethoxy-phenyl)-5-ethyl-2H-pyrazol-3-ylamine 4-(3,4-Dimethoxy-phenyl)-5-ethyl…

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CAS Number: 593279-05-1

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) 2.09 4.03 -8.7 3 5 0 73 247.298 4 ↓
Mid Mid (pH 6-8) 2.09 4.02 -33.98 4 5 1 74 248.306 4 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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