| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 21 | Yes |
Popular Name: N-(2-cyanophenyl)-3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]propanamide N-(2-cyanophenyl)-3-[(3R)-3-(dim…
| 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) | 1.27 | 5.72 | -38.62 | 2 | 5 | 1 | 61 | 287.387 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.27 | 5.8 | -40.91 | 2 | 5 | 1 | 61 | 287.387 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.27 | 3.33 | -7.93 | 1 | 5 | 0 | 59 | 286.379 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.27 | 8.2 | -111.87 | 3 | 5 | 2 | 62 | 288.395 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
