| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 20th, 2011 | 22 | No |
Popular Name: 2-methyl-5-[(3S)-2-(2-methylsulfonylethyl)-3,4-dihydro-1H-isoquinolin-3-yl]-1,3,4-oxadiazole 2-methyl-5-[(3S)-2-(2-methylsulf…
| 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) | -0.24 | -0.68 | -19.32 | 0 | 6 | 0 | 76 | 321.402 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -0.24 | 1.53 | -52.01 | 1 | 6 | 1 | 78 | 322.41 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
