| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 13th, 2008 | 18 | Yes |
Popular Name: (2S)-4-(1,3-benzodioxol-5-yl)-N,N,2-trimethyl-butane-1,2-diamine (2S)-4-(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) | 1.79 | 2.88 | -53.01 | 3 | 4 | 1 | 49 | 251.35 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.79 | 4.36 | -35.92 | 3 | 4 | 1 | 49 | 251.35 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.79 | 4.99 | -134.65 | 4 | 4 | 2 | 51 | 252.358 | 5 | ↓ |
