UCSF

ZINC34454016

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 29 Yes

Popular Name: 7-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-5,6,8-trifluoro-4- 7-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-o…

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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) 2.41 10.96 -94.28 2 6 0 82 407.392 3 ↓
Hi High (pH 8-9.5) 2.41 9.67 -60.47 1 6 -1 77 406.384 3 ↓
Lo Low (pH 4.5-6) 2.41 8.96 -52.19 3 6 1 79 408.4 3 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5480879 IBM Patent Data

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