| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2011 | 20 | Yes |
Popular Name: (3S)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic (3S)-2-[(3-methyl-1,2,4-oxadiazo…
| 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) | -1.01 | 6.67 | -28.97 | 1 | 6 | 0 | 83 | 273.292 | 3 | ↓ |
| Hi High (pH 8-9.5) | -1.01 | 4.45 | -48.06 | 0 | 6 | -1 | 82 | 272.284 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
