| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 28th, 2011 | 24 | Yes |
Popular Name: 1-(5-isoquinolyl)-3-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea 1-(5-isoquinolyl)-3-[(3R)-1-(2,2…
| 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) | 2.58 | 3.93 | -11.57 | 2 | 5 | 0 | 57 | 338.333 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.58 | 4.4 | -43.1 | 3 | 5 | 1 | 59 | 339.341 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.58 | 6.83 | -93.62 | 4 | 5 | 2 | 60 | 340.349 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.58 | 6.37 | -52.26 | 3 | 5 | 1 | 58 | 339.341 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
