| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2010 | 20 | Yes |
Popular Name: (2S)-2-[[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-N-cyclopentyl-propanamide (2S)-2-[[(1S,8aR)-1,2,3,5,6,7,8,…
| 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) | 1.98 | 5.83 | -34.82 | 3 | 4 | 1 | 46 | 280.436 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.98 | 3.58 | -6.21 | 2 | 4 | 0 | 44 | 279.428 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.98 | 4.61 | -37.78 | 3 | 4 | 1 | 49 | 280.436 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
