| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 24 | Yes |
Popular Name: 4-[(2-methyl-4-quinolyl)methyl]-3-(2-pyridyl)-1,2,4-oxadiazol-5-one 4-[(2-methyl-4-quinolyl)methyl]-…
| 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) | 2.45 | 9.5 | -14.19 | 0 | 6 | 0 | 74 | 318.336 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.45 | 9.89 | -35.24 | 1 | 6 | 1 | 75 | 319.344 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.45 | 9.97 | -103.3 | 2 | 6 | 2 | 76 | 320.352 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
