| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2010 | 15 | Yes |
Popular Name: N-methyl-N'-[3-(4-methylpiperazin-1-yl)propyl]ethane-1,2-diamine N-methyl-N'-[3-(4-methylpiperazi…
| 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) | -0.28 | 2.98 | -170.12 | 5 | 4 | 3 | 41 | 217.381 | 7 | ↓ |
| Hi High (pH 8-9.5) | -0.28 | -0.83 | -39.26 | 3 | 4 | 1 | 35 | 215.365 | 7 | ↓ |
| Hi High (pH 8-9.5) | -0.28 | -0.72 | -37.25 | 3 | 4 | 1 | 35 | 215.365 | 7 | ↓ |
| Mid Mid (pH 6-8) | -0.28 | 1.54 | -83.57 | 4 | 4 | 2 | 36 | 216.373 | 7 | ↓ |
| Mid Mid (pH 6-8) | -0.28 | 1.65 | -77.82 | 4 | 4 | 2 | 36 | 216.373 | 7 | ↓ |
| Mid Mid (pH 6-8) | -0.28 | 0.61 | -114.62 | 4 | 4 | 2 | 40 | 216.373 | 7 | ↓ |
