| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 15th, 2011 | 15 | Yes |
Popular Name: [(2S,6S)-2,6-dimethylpiperazin-1-yl]-(3-thienyl)methanone [(2S,6S)-2,6-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) | 0.45 | 4.26 | -51.64 | 2 | 3 | 1 | 37 | 225.337 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.45 | 2.93 | -8.41 | 1 | 3 | 0 | 32 | 224.329 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
