| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 9th, 2009 | 18 | Yes |
Popular Name: 4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-amino]butanenitrile 4-[[(3S)-2,3-dihydro-1,4-benzodi…
| 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) | 1.22 | 7.88 | -52.28 | 1 | 4 | 1 | 47 | 247.318 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.22 | 5.46 | -12.18 | 0 | 4 | 0 | 45 | 246.31 | 5 | ↓ |
