| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 16 | Yes |
Popular Name: (1R,8R)-N-[(2S,4S)-2-methyltetrahydropyran-4-yl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (1R,8R)-N-[(2S,4S)-2-methyltetra…
| 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 | 4.9 | -33.46 | 2 | 3 | 1 | 26 | 225.356 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.37 | 2.41 | -2.13 | 1 | 3 | 0 | 24 | 224.348 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.37 | 3.31 | -38.99 | 2 | 3 | 1 | 29 | 225.356 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.37 | 5.8 | -107.15 | 3 | 3 | 2 | 30 | 226.364 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
