| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 18 | No |
Popular Name: [(2S,6S)-2,6-dimethylpiperazin-1-yl]-(5-nitro-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) | 0.53 | 5.21 | -62.93 | 2 | 6 | 1 | 83 | 270.334 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.53 | 3.88 | -12.04 | 1 | 6 | 0 | 78 | 269.326 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
