UCSF

ZINC59877386

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2011 45 No

Popular Name: (2S)-3-[3-[3-[[3-[(6S)-6-bicyclo[2.2.2]octanyl]-1-[2-[(6S)-6-bicyclo[2.2.2]octanyl]ethyl]propyl]amin (2S)-3-[3-[3-[[3-[(6S)-6-bicyclo…

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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) 2.68 1.72 -114.9 9 9 2 146 641.979 24 ↓
Mid Mid (pH 6-8) 2.68 -0.66 -59.33 8 9 1 144 640.971 24 ↓
Mid Mid (pH 6-8) 2.68 1.66 -135.09 9 9 2 146 641.979 24 ↓
Lo Low (pH 4.5-6) 2.68 4.31 -214.52 10 9 3 147 642.987 24 ↓

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