UCSF

ZINC19362721

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 28 Yes

Popular Name: 3-(4-(2-Ethoxy-2-phenylethyl)piperazin-1-yl)-2-methyl-1-phenylpropan-1-one 3-(4-(2-Ethoxy-2-phenylethyl)pip…

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CAS Numbers: 10402-53-6 , 10402-90-1 , [10402-53-6] , [10402-90-1]

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) 4.07 11.98 -42.87 1 4 1 34 381.54 9 ↓
Mid Mid (pH 6-8) 4.07 12.6 -44.93 1 4 1 34 381.54 9 ↓
Mid Mid (pH 6-8) 4.07 10.63 -7.62 0 4 0 33 380.532 9 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 4.228 Bitter DB
Purity 95% Fluorochem
Target Free Base Selleck Chemicals

Activity (Go SEA)

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