UCSF

ZINC05525848

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2006 15 Yes

Popular Name: 3-(3-ethoxyphenyl)-1H-pyrazol-5-amine hydrochloride 3-(3-ethoxyphenyl)-1H-pyrazol-5-…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1187631-03-3 , 1217089-32-1 , 502132-94-7 , [1217089-32-1] , [502132-94-7]

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) 2.01 3.58 -9.54 3 4 0 64 203.245 3 ↓
Mid Mid (pH 6-8) 2.01 3.56 -7.38 3 4 0 64 203.245 3 ↓
Lo Low (pH 4.5-6) 2.01 3.71 -28.98 4 4 1 65 204.253 3 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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