| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 17 | Yes |
Popular Name: 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-1-piperazin-1-yl-ethanone 2-[(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) | -0.86 | 2.62 | -93.34 | 3 | 5 | 2 | 45 | 242.367 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.86 | -1.06 | -8.4 | 1 | 5 | 0 | 39 | 240.351 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.86 | 1.33 | -41.85 | 2 | 5 | 1 | 40 | 241.359 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
