| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 3rd, 2011 | 15 | Yes |
Popular Name: [(2S,5S)-2,5-dimethylpiperazin-1-yl]-(2-thienyl)methanone [(2S,5S)-2,5-dimethylpiperazin-1…
| 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) | 1.58 | 4.4 | -48.09 | 2 | 3 | 1 | 37 | 225.337 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.58 | 3.27 | -8.01 | 1 | 3 | 0 | 32 | 224.329 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
