| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 20th, 2012 | 24 | Yes |
Popular Name: 2-(diethylamino)-1-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]ethanone 2-(diethylamino)-1-[(2R)-2-(3,4-…
| 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) | 2.21 | 9.75 | -41.56 | 1 | 5 | 1 | 43 | 333.452 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.21 | 7.7 | -12.04 | 0 | 5 | 0 | 42 | 332.444 | 5 | ↓ |
