| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 15th, 2011 | 17 | Yes |
Popular Name: 1-ethyl-4-[(2S)-3,3,3-trifluoro-2-hydroxy-propyl]piperazine-2,3-dione 1-ethyl-4-[(2S)-3,3,3-trifluoro-…
| 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) | -0.47 | 1.84 | -18.69 | 1 | 5 | 0 | 61 | 254.208 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.47 | 2.33 | -47.62 | 0 | 5 | -1 | 64 | 253.2 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
