| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 25th, 2008 | 16 | Yes |
Popular Name: 1-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepane sulfate dihydrate 1-(2,3-dihydro-1H-inden-2-yl)-1,…
1-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepane
| 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) | 1.69 | 5.85 | -39.2 | 2 | 2 | 1 | 20 | 217.336 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.69 | 6.49 | -36.83 | 2 | 2 | 1 | 16 | 217.336 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.69 | 4.62 | -2.15 | 1 | 2 | 0 | 15 | 216.328 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
