UCSF

ZINC22916543

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 18 Yes

Popular Name: 1-(4-Phenyl-cyclohexyl)-piperazine 1-(4-Phenyl-cyclohexyl)-piperazine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1052539-25-9 , 179163-07-6

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) 2.64 7.53 -40.1 2 2 1 20 245.39 2 ↓
Lo Low (pH 4.5-6) 2.64 9.01 -120.44 3 2 2 21 246.398 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0788511A1; US6107458; WO1996011210A1 IBM Patent Data
Warnings IRRITANT Matrix Scientific

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