UCSF

ZINC14987790

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 19 Yes

Popular Name: 4-(3,4-Diethoxyphenyl)-3-methyl-1H-pyrazol-5-amine 4-(3,4-Diethoxyphenyl)-3-methyl-…

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CAS Numbers: , 1046051-28-8

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) 2.27 5.19 -8.69 3 5 0 73 261.325 5 ↓
Ref Reference (pH 7) 2.27 5.14 -8.86 3 5 0 73 261.325 5 ↓
Mid Mid (pH 6-8) 2.27 5.31 -34.61 4 5 1 74 262.333 5 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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