| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 15th, 2011 | 20 | Yes |
Popular Name: piperazin-1-yl-[(2S)-1-[(2S)-3,3,3-trifluoro-2-hydroxy-propyl]pyrrolidin-2-yl]methanone piperazin-1-yl-[(2S)-1-[(2S)-3,3…
| 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) | -0.34 | 2.63 | -83.53 | 3 | 5 | 1 | 64 | 296.313 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.34 | 0.89 | -40.34 | 3 | 5 | 1 | 57 | 296.313 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.34 | 1.35 | -32.77 | 2 | 5 | 0 | 60 | 295.305 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.34 | 2.17 | -102.26 | 4 | 5 | 2 | 62 | 297.321 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
