| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 20 | Yes |
Popular Name: (3S)-3-[[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-3-phenyl-propanenitrile (3S)-3-[[(1R,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) | 1.28 | 8.96 | -34.08 | 2 | 3 | 1 | 40 | 270.4 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.28 | 6.72 | -7.21 | 1 | 3 | 0 | 39 | 269.392 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
