| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 16th, 2010 | 20 | Yes |
Popular Name: 3-methyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]but-2-enamide 3-methyl-N-[6-(3-oxopiperazin-1-…
| 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) | 1.63 | 3.43 | -12.49 | 2 | 6 | 0 | 74 | 274.324 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.63 | 3.73 | -41.79 | 3 | 6 | 1 | 76 | 275.332 | 3 | ↓ |
