| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 11th, 2011 | 19 | Yes |
Popular Name: 2-[[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]-N-tetrahydropyran-4-yl-acetamide 2-[[(1S,8R)-2,3,5,6,7,8-hexahydr…
| 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) | 0.62 | 2.35 | -36.06 | 3 | 5 | 1 | 55 | 268.381 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.62 | -0.21 | -8.54 | 2 | 5 | 0 | 54 | 267.373 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.62 | 0.98 | -43.78 | 3 | 5 | 1 | 58 | 268.381 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.62 | 3.54 | -111.67 | 4 | 5 | 2 | 59 | 269.389 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
