In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2009 | 20 | Yes |
Popular Name: (1S,8aR)-N-[(1R)-1-(1-ethyl-4-piperidyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1S,8aR)-N-[(1R)-1-(1-ethyl-4-pi…
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) | 2.65 | 8.68 | -73.8 | 3 | 3 | 2 | 21 | 281.488 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.65 | 6.43 | -32.05 | 2 | 3 | 1 | 20 | 280.48 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.65 | 9.72 | -182.91 | 4 | 3 | 3 | 25 | 282.496 | 4 | ↓ |