| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 14th, 2011 | 17 | Yes |
Popular Name: [(2S)-7-(2-pyridyl)-2,3-dihydrobenzofuran-2-yl]methanamine [(2S)-7-(2-pyridyl)-2,3-dihydrob…
| 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) | 1.38 | 4.64 | -45.18 | 3 | 3 | 1 | 50 | 227.287 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.38 | 4.22 | -10.72 | 2 | 3 | 0 | 48 | 226.279 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.38 | 4.9 | -90.84 | 4 | 3 | 2 | 51 | 228.295 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
