| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 17th, 2011 | 18 | Yes |
Popular Name: [(2S)-7-(2-methyl-4-pyridyl)-2,3-dihydrobenzofuran-2-yl]methanamine [(2S)-7-(2-methyl-4-pyridyl)-2,3…
| 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) | 1.68 | 5.04 | -48.11 | 3 | 3 | 1 | 50 | 241.314 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.68 | 4.62 | -8.21 | 2 | 3 | 0 | 48 | 240.306 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.68 | 5.48 | -92.57 | 4 | 3 | 2 | 51 | 242.322 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
