UCSF

ZINC69146254

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (1R,5S)-8-[(3R)-1,1-dioxothian-3-yl]-N-ethyl-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) 1.06 2.66 -43.52 2 4 1 54 287.449 3 ↓
Lo Low (pH 4.5-6) 1.06 4.82 -117.01 3 4 2 55 288.457 3 ↓

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

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