| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 21 | Yes |
Popular Name: (1S)-1-(1,3-benzodioxol-5-yl)-2-(4-isopropylpiperazin-1-yl)ethanamine (1S)-1-(1,3-benzodioxol-5-yl)-2-…
| 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) | -0.09 | 4.46 | -108.88 | 4 | 5 | 2 | 54 | 293.411 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.09 | 2.04 | -49.58 | 3 | 5 | 1 | 53 | 292.403 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.09 | 1.61 | -4.99 | 2 | 5 | 0 | 51 | 291.395 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.09 | 3.61 | -42.35 | 3 | 5 | 1 | 52 | 292.403 | 4 | ↓ |
