| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2008 | 18 | No |
Popular Name: (3aS,7aR)-2-[[(2S)-2-piperidyl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione (3aS,7aR)-2-[[(2S)-2-piperidyl]m…
| 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) | 1.68 | 6.42 | -31.12 | 2 | 4 | 1 | 54 | 251.35 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.68 | 5.07 | -5.67 | 1 | 4 | 0 | 49 | 250.342 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.68 | 4.81 | -5.94 | 1 | 4 | 0 | 49 | 250.342 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.68 | 5.16 | -6.57 | 1 | 4 | 0 | 49 | 250.342 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
