UCSF

ZINC22028360

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 13 Yes

Popular Name: (R)-1-Cyclohexyl-3-methylpiperazine (R)-1-Cyclohexyl-3-methylpiperazine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1187930-87-5 , 182141-99-7 , [182141-99-7]

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) 2.23 3.57 -34.5 2 2 1 20 183.319 1 ↓
Lo Low (pH 4.5-6) 2.23 6.01 -109.51 3 2 2 21 184.327 1 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5883096; US6037352; WO1996026196A2 IBM Patent Data

Activity (Go SEA)

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