UCSF

ZINC36977132

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 18 Yes

Popular Name: (3R)-3-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]azepan-2-one (3R)-3-[[(1S,5R)-8-methyl-8-azab…

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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) 0.90 4.89 -39.64 3 4 1 46 252.382 2 ↓
Hi High (pH 8-9.5) 0.90 2.54 -6.93 2 4 0 44 251.374 2 ↓
Lo Low (pH 4.5-6) 0.90 5.13 -100.85 4 4 2 50 253.39 2 ↓

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