UCSF

ZINC70092226

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2011 17 Yes

Popular Name: (1R,5S)-8-[(1S)-1-(3-methyl-2-thienyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine (1R,5S)-8-[(1S)-1-(3-methyl-2-th…

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Download: MOL2 SDF SMILES Flexibase

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) 2.22 4.2 -43.82 3 2 1 31 251.419 2 ↓
Lo Low (pH 4.5-6) 2.22 6.38 -102.54 4 2 2 32 252.427 2 ↓

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Rings

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

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