| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 22 | Yes |
Popular Name: 1-(4-acetyl-3-ethyl-5-methyl-1H-pyrrol-2-yl)-2-[(6-methyl-3-pyridyl)oxy]ethanone 1-(4-acetyl-3-ethyl-5-methyl-1H-…
| 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) | 2.17 | 7.8 | -15.3 | 1 | 5 | 0 | 72 | 300.358 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.17 | 8.23 | -42.98 | 2 | 5 | 1 | 73 | 301.366 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
