| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 3rd, 2010 | 13 | No |
Popular Name: (4R)-2-(2-dimethylaminoethyl)-4,5-dimethyl-4H-pyrazol-3-one (4R)-2-(2-dimethylaminoethyl)-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) | 0.59 | 4.41 | -10.59 | 1 | 4 | 0 | 37 | 184.263 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.59 | 1.91 | -8.52 | 0 | 4 | 0 | 36 | 183.255 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.59 | 1.94 | -8.52 | 0 | 4 | 0 | 36 | 183.255 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
