| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 21st, 2007 | 34 | No |
Popular Name: 4-(4-bromobenzoyl)-1-(3-dibutylaminopropyl)-3-hydroxy-5-(3-pyridyl)-5H-pyrrol-2-one 4-(4-bromobenzoyl)-1-(3-dibutyla…
| 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) | 5.13 | 12.34 | -46.08 | 2 | 6 | 1 | 75 | 529.499 | 13 | ↓ |
| Mid Mid (pH 6-8) | 4.54 | 13 | -56.34 | 1 | 6 | 1 | 72 | 529.499 | 13 | ↓ |
| Lo Low (pH 4.5-6) | 5.57 | 12.33 | -128.5 | 3 | 6 | 2 | 76 | 530.507 | 12 | ↓ |
| Lo Low (pH 4.5-6) | 4.54 | 13.29 | -124.48 | 2 | 6 | 2 | 73 | 530.507 | 13 | ↓ |
