UCSF

ZINC36876672

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 17 Yes

Popular Name: 2-(4-phenyl-1H-imidazol-2-yl)piperidine dihydrochloride 2-(4-phenyl-1H-imidazol-2-yl)pip…

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CAS Number: 1803592-92-8

Other Names:

MFCD27920276

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) 2.35 6.46 -37.44 3 3 1 45 228.319 2 ↓
Hi High (pH 8-9.5) 2.35 5.03 -7.28 2 3 0 41 227.311 2 ↓
Hi High (pH 8-9.5) 2.35 5 -5.38 2 3 0 41 227.311 2 ↓
Lo Low (pH 4.5-6) 2.35 6.91 -108.56 4 3 2 47 229.327 2 ↓
Lo Low (pH 4.5-6) 2.35 6.89 -108.38 4 3 2 47 229.327 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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