| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2011 | 19 | Yes |
Popular Name: (1S)-1-[5-(1-isoquinolyl)-1,3,4-oxadiazol-2-yl]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) | -0.28 | 0.97 | -46.31 | 3 | 5 | 1 | 79 | 255.301 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.28 | 0.64 | -9.56 | 2 | 5 | 0 | 78 | 254.293 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.28 | 1.43 | -91.53 | 4 | 5 | 2 | 81 | 256.309 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
