| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2010 | 20 | Yes |
Popular Name: 4-[[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-N-methyl-pyridine-2-carboxamide 4-[[(1R,8aR)-1,2,3,5,6,7,8,8a-oc…
| 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) | 1.87 | 4.48 | -42.41 | 3 | 5 | 1 | 58 | 275.376 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.87 | 2.22 | -7.85 | 2 | 5 | 0 | 57 | 274.368 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.87 | 2.7 | -36.86 | 3 | 5 | 1 | 59 | 275.376 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.87 | 4.96 | -91.23 | 4 | 5 | 2 | 60 | 276.384 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
