| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2008 | 33 | No |
Popular Name: (5S)-1-(2-diethylaminoethyl)-3-hydroxy-4-(4-isobutoxybenzoyl)-5-(3-pyridyl)-5H-pyrrol-2-one (5S)-1-(2-diethylaminoethyl)-3-h…
| 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) | 3.10 | 10.4 | -71.19 | 1 | 7 | 0 | 87 | 451.567 | 11 | ↓ |
| Hi High (pH 8-9.5) | 3.10 | 8.09 | -60.17 | 0 | 7 | -1 | 86 | 450.559 | 11 | ↓ |
| Lo Low (pH 4.5-6) | 3.10 | 9.58 | -50.82 | 2 | 7 | 1 | 84 | 452.575 | 11 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
