| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2011 | 16 | No |
Popular Name: (4R)-4-(2-aminoethyl)-5-methyl-2-(2-pyridyl)-4H-pyrazol-3-one (4R)-4-(2-aminoethyl)-5-methyl-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) | 0.06 | 3.29 | -54.47 | 3 | 5 | 1 | 73 | 219.268 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.06 | 2.9 | -16.12 | 2 | 5 | 0 | 72 | 218.26 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.06 | 2.85 | -14.39 | 2 | 5 | 0 | 72 | 218.26 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
