| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 21 | Yes |
Popular Name: (1S)-2-(4-isopropylpiperazin-1-yl)-1-(2-methoxy-5-methyl-phenyl)ethanamine (1S)-2-(4-isopropylpiperazin-1-y…
| 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) | 0.46 | 5.81 | -97.12 | 4 | 4 | 2 | 45 | 293.455 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.46 | 3.59 | -40.18 | 3 | 4 | 1 | 43 | 292.447 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.46 | 2.97 | -3.76 | 2 | 4 | 0 | 42 | 291.439 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.46 | 5.15 | -30.07 | 3 | 4 | 1 | 43 | 292.447 | 5 | ↓ |
