| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 11th, 2006 | 22 | No |
Popular Name: 1-[3-(2-hydroxyphenyl)-5-(o-tolyl)-4,5-dihydropyrazol-1-yl]ethanone 1-[3-(2-hydroxyphenyl)-5-(o-toly…
| 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) | 3.26 | 7.16 | -11.37 | 1 | 4 | 0 | 53 | 294.354 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ABP1-2-E | Diamine Oxidase (cluster #2 Of 4), Eukaryotic | Eukaryotes | 5500 | 0.33 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ABP1_HUMAN | P19801 | Diamine Oxidase, Human | 5500 | 0.33 | Binding ≤ 10μM |
