| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 15th, 2011 | 17 | Yes |
Popular Name: 1-[(3R)-2,5-dioxopyrrolidin-3-yl]-4-methyl-piperidine-4-carboxylic 1-[(3R)-2,5-dioxopyrrolidin-3-yl…
| 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) | -0.66 | 0.64 | -70.06 | 1 | 6 | -1 | 97 | 239.251 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.66 | -1.54 | -95.1 | 0 | 6 | -2 | 96 | 238.243 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.85 | 3.17 | -68.08 | 2 | 6 | 0 | 91 | 240.259 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.85 | 0.99 | -52.48 | 1 | 6 | -1 | 90 | 239.251 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
