UCSF

ZINC59606980

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 32 Yes

Popular Name: N-{2-[4-(2-methoxyphenyl)piperazino]-1-methylethyl}-N-pyridin-2-ylcyclohexanecarboxamide N-{2-[4-(2-methoxyphenyl)piperaz…

Find On: PubMed — Wikipedia — Google

CAS Number: 302900-97-6

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) 4.71 11.33 -11.04 0 6 0 49 436.6 7 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0512755A2; EP0512755B1; US6127357; US6133449; WO1995033725A1 IBM Patent Data

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

No pre-computed analogs available. Try a structural similarity search.