| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2010 | 20 | Yes |
Popular Name: (1S)-1-(1,3-benzodioxol-5-yl)-N'-isopentyl-N,N'-dimethyl-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) | 3.25 | 7.94 | -131.05 | 3 | 4 | 2 | 40 | 280.412 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.25 | 6.06 | -41.85 | 2 | 4 | 1 | 38 | 279.404 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.25 | 6.48 | -39.37 | 2 | 4 | 1 | 35 | 279.404 | 7 | ↓ |
