| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2011 | 15 | Yes |
Popular Name: 4-(1,3-dihydroisobenzofuran-5-yl)-2-methyl-but-3-yn-2-amine 4-(1,3-dihydroisobenzofuran-5-yl…
| 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) | 2.07 | 4.49 | -43.22 | 3 | 2 | 1 | 37 | 202.277 | 0 | ↓ |
| Hi High (pH 8-9.5) | 2.07 | 4.24 | -5.19 | 2 | 2 | 0 | 35 | 201.269 | 0 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
