| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2009 | 18 | Yes |
Popular Name: 3-(4-methylpiperazin-1-yl)-N-[(2-methylthiazol-5-yl)methyl]propan-1-amine 3-(4-methylpiperazin-1-yl)-N-[(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) | 0.57 | 3.31 | -37.77 | 2 | 4 | 1 | 33 | 269.438 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.57 | 3.42 | -36.28 | 2 | 4 | 1 | 33 | 269.438 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.57 | 1.05 | -5.26 | 1 | 4 | 0 | 31 | 268.43 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.57 | 4.77 | -91.85 | 3 | 4 | 2 | 37 | 270.446 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.57 | 4.66 | -111.79 | 3 | 4 | 2 | 37 | 270.446 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.57 | 2.4 | -45.21 | 2 | 4 | 1 | 36 | 269.438 | 6 | ↓ |
