| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2010 | 17 | Yes |
Popular Name: (1S,8R)-N-[2-(4-pyridyl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (1S,8R)-N-[2-(4-pyridyl)ethyl]-2…
| 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) | 1.15 | 5.52 | -35.11 | 2 | 3 | 1 | 29 | 232.351 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.15 | 4.17 | -47.42 | 2 | 3 | 1 | 33 | 232.351 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.15 | 2.99 | -4.05 | 1 | 3 | 0 | 28 | 231.343 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.15 | 5.97 | -74.46 | 3 | 3 | 2 | 31 | 233.359 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.15 | 7.13 | -177.56 | 4 | 3 | 3 | 35 | 234.367 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
