| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 17 | Yes |
Popular Name: 3-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]pyridine-2-carbonitrile 3-[[(3S)-3-(dimethylamino)pyrrol…
| 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) | 0.81 | 4.84 | -39.91 | 1 | 4 | 1 | 44 | 231.323 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.81 | 2.45 | -9.67 | 0 | 4 | 0 | 43 | 230.315 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.81 | 7.06 | -109.77 | 2 | 4 | 2 | 46 | 232.331 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
