| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 17th, 2008 | 17 | Yes |
Popular Name: (1S)-1-(1,3-benzodioxol-5-yl)-N-isopropyl-N-methyl-ethane-1,2-diamine (1S)-1-(1,3-benzodioxol-5-yl)-N-…
| 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) | 0.02 | 4.46 | -38.56 | 3 | 4 | 1 | 49 | 237.323 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.02 | 4.75 | -136.36 | 4 | 4 | 2 | 51 | 238.331 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.02 | 2.78 | -49.1 | 3 | 4 | 1 | 49 | 237.323 | 4 | ↓ |
