| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2010 | 21 | Yes |
Popular Name: (2S)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-amino-2-phenyl-propanamide (2S)-N-[(1R,8aR)-1,2,3,5,6,7,8,8…
| 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) | 1.90 | 6 | -41.25 | 4 | 4 | 1 | 60 | 288.415 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.90 | 3.76 | -6.5 | 3 | 4 | 0 | 58 | 287.407 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.90 | 6.24 | -111.68 | 5 | 4 | 2 | 61 | 289.423 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
