UCSF

ZINC23066654

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 18 Yes

Popular Name: 1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethan-1-amine 1-(4-methoxyphenyl)-2-(4-methylp…

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CAS Number: 953905-83-4

Other Names:

MFCD09731380

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) -0.59 4.17 -105.1 4 4 2 45 251.374 4 ↓
Hi High (pH 8-9.5) -0.59 1.42 -3.42 2 4 0 42 249.358 4 ↓
Mid Mid (pH 6-8) -0.59 3.35 -36.71 3 4 1 43 250.366 4 ↓
Mid Mid (pH 6-8) -0.59 1.7 -47.06 3 4 1 43 250.366 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 82 - 84 Enamine Building Blocks
MP 82...84 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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