| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 23rd, 2009 | 18 | Yes |
Popular Name: 1-[4-[[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]-1-piperidyl]ethanone 1-[4-[[(1S,8R)-2,3,5,6,7,8-hexah…
| 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) | 0.42 | 4.86 | -40.11 | 2 | 4 | 1 | 37 | 252.382 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.42 | 3.33 | -48.76 | 2 | 4 | 1 | 40 | 252.382 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.42 | 5.83 | -118.53 | 3 | 4 | 2 | 41 | 253.39 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
