| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2009 | 19 | Yes |
Popular Name: 4-[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]-4-oxo-butanoic 4-[[2-methyl-2-(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) | -0.06 | 3.73 | -61.02 | 2 | 6 | 0 | 77 | 271.361 | 6 | ↓ |
| Hi High (pH 8-9.5) | -0.06 | 1.79 | -45.2 | 1 | 6 | -1 | 76 | 270.353 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.06 | 4.15 | -67.43 | 2 | 6 | 0 | 77 | 271.361 | 6 | ↓ |
| Lo Low (pH 4.5-6) | -0.06 | 2.17 | -41.48 | 3 | 6 | 1 | 74 | 272.369 | 6 | ↓ |
| Lo Low (pH 4.5-6) | -0.06 | 1.77 | -38.93 | 3 | 6 | 1 | 74 | 272.369 | 6 | ↓ |
