| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2010 | 21 | Yes |
Popular Name: 2-chloro-6-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]benzonitrile 2-chloro-6-[[(3S)-1-(2,2,2-trifl…
| 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) | 3.59 | 5.86 | -8.9 | 1 | 3 | 0 | 39 | 317.742 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.59 | 8.29 | -50.05 | 2 | 3 | 1 | 40 | 318.75 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
