| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 26th, 2006 | 30 | No |
Popular Name: 1-(3-diethylaminopropyl)-3-hydroxy-4-(4-methylbenzoyl)-5-(2-pyridyl)-5H-pyrrol-2-one 1-(3-diethylaminopropyl)-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) | 2.71 | 9.75 | -46.36 | 2 | 6 | 1 | 75 | 408.522 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.13 | 10.54 | -55.54 | 1 | 6 | 1 | 72 | 408.522 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 3.16 | 9.73 | -115.3 | 3 | 6 | 2 | 76 | 409.53 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.13 | 10.83 | -115.43 | 2 | 6 | 2 | 73 | 409.53 | 9 | ↓ |
