UCSF

ZINC60177390

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2011 40 Yes

Popular Name: 1'-[3-(4-fluorophenyl)-5-spiro[1H-isobenzofuran-3,4'-piperidine]-1'-yl-pentyl]spiro[1H-isobenzofuran 1'-[3-(4-fluorophenyl)-5-spiro[1…

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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) 6.79 18.71 -111.88 2 4 2 27 542.739 7 ↓
Hi High (pH 8-9.5) 6.79 16.49 -46.74 1 4 1 26 541.731 7 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5658921; US6090808 IBM Patent Data

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