In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2009 | 13 | Yes |
Popular Name: (8aS)-2-(azetidin-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (8aS)-2-(azetidin-3-yl)-3,4,6,7,…
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) | 0.26 | 2.62 | -85.62 | 3 | 3 | 2 | 24 | 183.299 | 1 | ↓ |
Hi High (pH 8-9.5) | 0.26 | -1.33 | -1.73 | 1 | 3 | 0 | 19 | 181.283 | 1 | ↓ |
Mid Mid (pH 6-8) | 0.26 | 0.93 | -30.6 | 2 | 3 | 1 | 20 | 182.291 | 1 | ↓ |