| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2012 | 23 | Yes |
Popular Name: (3-methyl-2-thienyl)-[3-(4-pyridyl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5-yl]methanone (3-methyl-2-thienyl)-[3-(4-pyrid…
| 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) | 2.13 | 7.06 | -11.57 | 0 | 5 | 0 | 59 | 325.393 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.13 | 7.51 | -49.84 | 1 | 5 | 1 | 60 | 326.401 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.