| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 2nd, 2009 | 19 | Yes |
Popular Name: (9aR)-2-(3-phenylpropyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine (9aR)-2-(3-phenylpropyl)-1,3,4,5…
| 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) | 3.22 | 9.68 | -30.49 | 1 | 2 | 1 | 8 | 259.417 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.22 | 8.12 | -2.89 | 0 | 2 | 0 | 6 | 258.409 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.22 | 11.61 | -105.27 | 2 | 2 | 2 | 9 | 260.425 | 4 | ↓ |
