| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 21st, 2011 | 21 | No |
Popular Name: (3aS,7aR)-2-[(2S)-2-hydroxy-3-morpholino-propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione (3aS,7aR)-2-[(2S)-2-hydroxy-3-mo…
| 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) | -0.26 | 1.22 | -8.55 | 1 | 6 | 0 | 70 | 294.351 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.26 | 3.38 | -38.57 | 2 | 6 | 1 | 71 | 295.359 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.26 | 3.52 | -39.05 | 2 | 6 | 1 | 71 | 295.359 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
