| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 24th, 2008 | 20 | Yes |
Popular Name: (1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylpiperazin-1-yl)ethanamine (1S)-1-(2,3-dihydro-1,4-benzodio…
| 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) | -1.14 | 3.99 | -106.99 | 4 | 5 | 2 | 54 | 279.384 | 3 | ↓ |
| Hi High (pH 8-9.5) | -1.14 | 1.24 | -5.16 | 2 | 5 | 0 | 51 | 277.368 | 3 | ↓ |
| Mid Mid (pH 6-8) | -1.14 | 3.17 | -38.44 | 3 | 5 | 1 | 52 | 278.376 | 3 | ↓ |
| Mid Mid (pH 6-8) | -1.14 | 1.52 | -49.08 | 3 | 5 | 1 | 53 | 278.376 | 3 | ↓ |
