| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 23rd, 2008 | 25 | No |
Popular Name: (2Z)-6-hydroxy-7-[(4-methylpiperazin-1-yl)methyl]-2-(2-thienylmethylene)benzofuran-3-one (2Z)-6-hydroxy-7-[(4-methylpiper…
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| 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) | 2.72 | 6.8 | -26.47 | 1 | 5 | 0 | 61 | 356.447 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.72 | 4.46 | -43.33 | 0 | 5 | -1 | 60 | 355.439 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.72 | 6.14 | -43.57 | 2 | 5 | 1 | 58 | 357.455 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.72 | 6.93 | -54.55 | 1 | 5 | 0 | 61 | 356.447 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.72 | 3.67 | -12.51 | 1 | 5 | 0 | 57 | 356.447 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.72 | 6.01 | -41.04 | 2 | 5 | 1 | 58 | 357.455 | 3 | ↓ |
