| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 11th, 2009 | 18 | Yes |
Popular Name: [(2R,3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-(1,4-diazepan-1-yl)methanone [(2R,3aR,7aR)-2,3,3a,4,5,6,7,7a-…
| 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) | 1.80 | 5.27 | -96.4 | 4 | 4 | 2 | 54 | 253.39 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.80 | 3.74 | -37.87 | 3 | 4 | 1 | 49 | 252.382 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.80 | 4.12 | -45.03 | 3 | 4 | 1 | 49 | 252.382 | 1 | ↓ |
