UCSF

ZINC61360588

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2011 17 Yes

Popular Name: (1R,5S)-8-methyl-N-[(1S)-1-(3-thienyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine (1R,5S)-8-methyl-N-[(1S)-1-(3-th…

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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) 2.44 6.53 -31.34 2 2 1 16 251.419 3 ↓
Mid Mid (pH 6-8) 2.44 5.17 -37.71 2 2 1 20 251.419 3 ↓
Mid Mid (pH 6-8) 2.44 7.53 -101.13 3 2 2 21 252.427 3 ↓

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Rings

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

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