| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2010 | 16 | Yes |
Popular Name: (1R,8R)-N-[[(2R)-tetrahydropyran-2-yl]methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (1R,8R)-N-[[(2R)-tetrahydropyran…
| 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) | 1.52 | 5.26 | -31.43 | 2 | 3 | 1 | 26 | 225.356 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.52 | 3.76 | -36.18 | 2 | 3 | 1 | 29 | 225.356 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.52 | 2.77 | -2.26 | 1 | 3 | 0 | 24 | 224.348 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.52 | 6.25 | -101.46 | 3 | 3 | 2 | 30 | 226.364 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
