UCSF

ZINC70092575

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2011 19 Yes

Popular Name: 3-[(1S)-1-[(1R,5S)-3-amino-8-azabicyclo[3.2.1]octan-8-yl]ethyl]benzonitrile 3-[(1S)-1-[(1R,5S)-3-amino-8-aza…

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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) 1.67 6.13 -44.34 3 3 1 55 256.373 2 ↓
Lo Low (pH 4.5-6) 1.67 8 -115.64 4 3 2 56 257.381 2 ↓

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

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