| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2009 | 21 | Yes |
Popular Name: (2R)-4-(1,3-benzodioxol-5-yl)-N2-ethyl-N2-isopropyl-2-methyl-butane-1,2-diamine (2R)-4-(1,3-benzodioxol-5-yl)-N2…
| 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) | 2.84 | 5.27 | -48.53 | 3 | 4 | 1 | 49 | 293.431 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.84 | 4.2 | -4.54 | 2 | 4 | 0 | 48 | 292.423 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.84 | 5.83 | -33.29 | 3 | 4 | 1 | 49 | 293.431 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.84 | 6.29 | -130.01 | 4 | 4 | 2 | 51 | 294.439 | 7 | ↓ |
