| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2011 | 18 | No |
Popular Name: 1-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2-piperazin-1-yl-ethane-1,2-dione 1-[(3S)-3-(dimethylamino)pyrroli…
| 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) | -1.54 | 3.1 | -89.75 | 3 | 6 | 2 | 62 | 256.35 | 2 | ↓ |
| Hi High (pH 8-9.5) | -1.54 | -0.74 | -4.99 | 1 | 6 | 0 | 56 | 254.334 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.54 | 1.78 | -41.49 | 2 | 6 | 1 | 57 | 255.342 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
