| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 20 | Yes |
Popular Name: (1S)-2-(4-isopropylpiperazin-1-yl)-1-(4-methoxyphenyl)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) | 0.08 | 5.04 | -102.68 | 4 | 4 | 2 | 45 | 279.428 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.08 | 2.83 | -44.19 | 3 | 4 | 1 | 43 | 278.42 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.08 | 2.2 | -3.78 | 2 | 4 | 0 | 42 | 277.412 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.08 | 4.37 | -35.22 | 3 | 4 | 1 | 43 | 278.42 | 5 | ↓ |
