In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 4th, 2009 | 17 | Yes |
Popular Name: (8aR)-2-[(3R)-1-ethyl-3-piperidyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (8aR)-2-[(3R)-1-ethyl-3-piperidy…
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) | 1.42 | 6.76 | -86.33 | 2 | 3 | 2 | 12 | 239.407 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.42 | 4.58 | -32.74 | 1 | 3 | 1 | 11 | 238.399 | 2 | ↓ |