UCSF

ZINC69146263

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 20 No

Popular Name: (1R,5S)-8-[(3R)-1,1-dioxothian-3-yl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (1R,5S)-8-[(3R)-1,1-dioxothian-3…

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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) 1.56 3.43 -44.13 2 4 1 54 301.476 4 ↓
Lo Low (pH 4.5-6) 1.56 5.57 -118.81 3 4 2 55 302.484 4 ↓

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Rings

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

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