| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 28th, 2006 | 24 | No |
Popular Name: 4-(prop-2-ynylaminomethylene)-2-(p-tolyl)isoquinoline-1,3-dione 4-(prop-2-ynylaminomethylene)-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) | 2.65 | -0.01 | -18.46 | 0 | 4 | 0 | 49 | 316.36 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.65 | 0.87 | -49.35 | 1 | 4 | 1 | 51 | 317.368 | 3 | ↓ |
