| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 24 | Yes |
Popular Name: (2S)-1-(8-quinolylmethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (2S)-1-(8-quinolylmethyl)-N-(2,2…
| 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) | 2.12 | 7.82 | -36.91 | 2 | 4 | 1 | 46 | 338.353 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.12 | 6.33 | -11.07 | 1 | 4 | 0 | 45 | 337.345 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
