| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2008 | 18 | Yes |
Popular Name: (1S)-1-(2,4-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanamine (1S)-1-(2,4-dimethylphenyl)-2-(4…
| 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) | 0.17 | 5.94 | -103.19 | 4 | 3 | 2 | 35 | 249.402 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.17 | 3.14 | -2.51 | 2 | 3 | 0 | 32 | 247.386 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.17 | 5.1 | -37.35 | 3 | 3 | 1 | 34 | 248.394 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.17 | 3.47 | -44.23 | 3 | 3 | 1 | 34 | 248.394 | 3 | ↓ |
