| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 16th, 2011 | 15 | Yes |
Popular Name: 2-[(9aS)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]propane-1,3-diol 2-[(9aS)-1,3,4,5,7,8,9,9a-octahy…
| 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) | -0.38 | -0.02 | -29.69 | 3 | 4 | 1 | 48 | 215.317 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.38 | 2.36 | -95.81 | 4 | 4 | 2 | 49 | 216.325 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.38 | 0.29 | -29.65 | 3 | 4 | 1 | 48 | 215.317 | 3 | ↓ |
