| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 7th, 2005 | 25 | No |
Popular Name: 1-(2-dimethylaminoethyl)-3-hydroxy-5-(4-pyridyl)-4-(2-thienylcarbonyl)-5H-pyrrol-2-one 1-(2-dimethylaminoethyl)-3-hydro…
| 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) | 1.02 | -0.57 | -52.15 | 2 | 6 | 1 | 74 | 358.443 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.43 | -0.75 | -60.29 | 1 | 6 | 1 | 71 | 358.443 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.46 | -0.85 | -117.24 | 3 | 6 | 2 | 76 | 359.451 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.43 | -0.64 | -116.86 | 2 | 6 | 2 | 73 | 359.451 | 6 | ↓ |
