UCSF

ZINC26961387

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 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-8-ethynyl-6-fluoro 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) 0.10 9.36 -93.23 2 6 0 82 395.434 3 ↓
Mid Mid (pH 6-8) -2.64 8.4 -68.29 3 6 1 85 396.442 2 ↓

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