| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2011 | 21 | Yes |
Popular Name: (3R)-2-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic (3R)-2-[2-(2-methylimidazol-1-yl…
| 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) | -0.72 | 10.35 | -41.32 | 1 | 5 | 0 | 62 | 285.347 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.72 | 8.15 | -50.45 | 0 | 5 | -1 | 61 | 284.339 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.72 | 10.82 | -71.34 | 2 | 5 | 1 | 64 | 286.355 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
