| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2009 | 18 | Yes |
Popular Name: (1S)-1-(1,3-benzodioxol-5-yl)-N-ethyl-N-isopropyl-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) | 1.67 | 4.35 | -125.97 | 4 | 4 | 2 | 51 | 252.358 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.67 | 4.49 | -33.44 | 3 | 4 | 1 | 49 | 251.35 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.67 | 3.19 | -49.62 | 3 | 4 | 1 | 49 | 251.35 | 5 | ↓ |
