| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2011 | 20 | Yes |
Popular Name: (1S)-1-[5-(1-isoquinolyl)-1,3,4-oxadiazol-2-yl]-N-methyl-propan-1-amine (1S)-1-[5-(1-isoquinolyl)-1,3,4-…
| 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) | 1.97 | 2.72 | -41.43 | 2 | 5 | 1 | 68 | 269.328 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.97 | 1.69 | -9.49 | 1 | 5 | 0 | 64 | 268.32 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.97 | 3.17 | -86.4 | 3 | 5 | 2 | 70 | 270.336 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
