UCSF

ZINC33815242

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 30 Yes

Popular Name: 7-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-6-fluoro-1-[(1R,2S)-2-fluorocycl 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) 0.42 10.31 -99.83 2 7 0 91 419.428 4 ↓
Hi High (pH 8-9.5) 0.42 9.03 -67 1 7 -1 87 418.42 4 ↓
Mid Mid (pH 6-8) 0.42 8.3 -53.87 3 7 1 88 420.436 4 ↓
Lo Low (pH 4.5-6) -2.32 8.33 -84.68 3 7 1 94 420.436 3 ↓

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

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