UCSF

ZINC34929379

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 17 Yes

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

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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) 1.51 6.28 -49.04 3 3 1 45 228.319 2 ↓
Ref Reference (pH 7) 1.51 6.25 -47.77 3 3 1 45 228.319 2 ↓
Mid Mid (pH 6-8) 1.51 6.7 -97.25 4 3 2 47 229.327 2 ↓
Mid Mid (pH 6-8) 1.51 6.71 -97.45 4 3 2 47 229.327 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0958287A1; US5998412; US6130220; US6143744 IBM Patent Data

Activity (Go SEA)

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