UCSF

ZINC60482439

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 26th, 2011 18 Yes

Popular Name: (4-chlorophenyl)-(1-propyl-4-piperidyl)methanone (4-chlorophenyl)-(1-propyl-4-pip…

Find On: PubMed — Wikipedia — Google

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) 3.82 9.98 -42.54 1 2 1 22 266.792 4 ↓
Hi High (pH 8-9.5) 3.82 7.74 -5.6 0 2 0 20 265.784 4 ↓

Vendor Notes

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

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Rings

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

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