| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2011 | 15 | No |
Popular Name: (4R)-4-(2-aminoethyl)-2-(2-hydroxyethyl)-5-isopropyl-4H-pyrazol-3-one (4R)-4-(2-aminoethyl)-2-(2-hydro…
| 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) | -0.63 | -0.71 | -50.66 | 4 | 5 | 1 | 81 | 214.289 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.63 | -1.1 | -9.82 | 3 | 5 | 0 | 79 | 213.281 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.63 | -1.1 | -8.57 | 3 | 5 | 0 | 79 | 213.281 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
