| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 26th, 2011 | 18 | Yes |
Popular Name: [4-(2-dimethylaminoethyl)piperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone [4-(2-dimethylaminoethyl)piperaz…
| 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) | -0.24 | 3.43 | -85.69 | 3 | 5 | 2 | 45 | 256.394 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.24 | 2.2 | -44.17 | 2 | 5 | 1 | 40 | 255.386 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.24 | 0.95 | -38.07 | 2 | 5 | 1 | 43 | 255.386 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
