| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 21 | No |
Popular Name: (E)-1-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-3-(4-nitrophenyl)prop-2-en-1-one (E)-1-[(2S,6R)-2,6-dimethylpiper…
| 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) | 1.93 | 7.07 | -57.16 | 2 | 6 | 1 | 83 | 290.343 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.93 | 5.74 | -11.26 | 1 | 6 | 0 | 78 | 289.335 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
