| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 21 | Yes |
Popular Name: 3-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]benzofuran-2-carboxylic 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) | 1.96 | 7.54 | -68.5 | 1 | 5 | 0 | 61 | 288.347 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.96 | 5.15 | -53.73 | 0 | 5 | -1 | 60 | 287.339 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.96 | 9.92 | -97.41 | 2 | 5 | 1 | 62 | 289.355 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
