| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 21 | No |
Popular Name: (E)-3-phenylacrylic-acid-[(4-keto-3,5-dimethyl-cyclohexa-2,5-dien-1-ylidene)amino]-ester (E)-3-phenylacrylic-acid-[(4-ket…
| 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) | 4.21 | 10.41 | -9.72 | 0 | 4 | 0 | 56 | 281.311 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| RBBP9-1-E | Putative Hydrolase RBBP9 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1200 | 0.39 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| RBBP9_HUMAN | O75884 | Putative Hydrolase RBBP9, Human | 1200 | 0.39 | Binding ≤ 10μM |
