UCSF

ZINC33815244

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 28 Yes

Popular Name: 7-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methyl- 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) 0.79 11.75 -100.26 2 6 0 82 385.439 3 ↓
Hi High (pH 8-9.5) 0.79 10.46 -67.33 1 6 -1 77 384.431 3 ↓
Mid Mid (pH 6-8) 0.79 9.74 -54.17 3 6 1 79 386.447 3 ↓
Lo Low (pH 4.5-6) -1.96 8.53 -88.63 3 6 1 85 386.447 2 ↓

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