| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 31st, 2006 | 10 | No |
Popular Name: 2-(2-hydroxyethyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one 2-(2-hydroxyethyl)-5-methyl-2,4-…
| 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) | -0.55 | -0.74 | -10.38 | 1 | 4 | 0 | 53 | 142.158 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.12 | -2.24 | -44.32 | 1 | 4 | -1 | 61 | 141.15 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.12 | -3 | -7.39 | 2 | 4 | 0 | 58 | 142.158 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO1999059528A2 | IBM Patent Data |
