| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 2nd, 2009 | 20 | Yes |
Popular Name: 1-[(2S)-2-(3-methylisoxazol-5-yl)pyrrolidin-1-yl]-2-piperazin-1-yl-ethanone 1-[(2S)-2-(3-methylisoxazol-5-yl…
| 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) | -0.08 | 3.13 | -45.37 | 2 | 6 | 1 | 66 | 279.364 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.08 | 1.77 | -14.03 | 1 | 6 | 0 | 62 | 278.356 | 3 | ↓ |
