| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 14 | Yes |
Popular Name: 2-(azetidin-3-yl)-1,2,3,4-tetrahydroisoquinoline sesquioxalate 2-(azetidin-3-yl)-1,2,3,4-tetrah…
| 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) | 1.37 | 3.76 | -40.25 | 2 | 2 | 1 | 20 | 189.282 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.37 | 2.08 | -2.68 | 1 | 2 | 0 | 15 | 188.274 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.37 | 4.31 | -34.72 | 2 | 2 | 1 | 16 | 189.282 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
