| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 20 | Yes |
Popular Name: 1-[2-[(3S)-3-(diethylamino)pyrrolidin-1-yl]acetyl]piperidin-4-one 1-[2-[(3S)-3-(diethylamino)pyrro…
| 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) | 0.17 | 5.22 | -44.14 | 1 | 5 | 1 | 45 | 282.408 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.17 | 3.14 | -10.21 | 0 | 5 | 0 | 44 | 281.4 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.17 | 5.41 | -46.01 | 1 | 5 | 1 | 45 | 282.408 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.17 | 7.45 | -120.07 | 2 | 5 | 2 | 46 | 283.416 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
