| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 15th, 2008 | 27 | No |
Popular Name: 4-[[4-(4-hydroxyphenyl)-2H-phthalazin-1-ylidene]amino]benzamide 4-[[4-(4-hydroxyphenyl)-2H-phtha…
| 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) | 3.91 | 6.17 | -45.17 | 4 | 6 | 0 | 101 | 356.385 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.86 | 5.03 | -16.81 | 4 | 6 | 0 | 101 | 356.385 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.86 | 5.13 | -36.55 | 5 | 6 | 1 | 102 | 357.393 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| BRAF-1-E | Serine/threonine-protein Kinase B-raf (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2100 | 0.29 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| BRAF_HUMAN | P15056 | Serine/threonine-protein Kinase B-raf, Human | 2100 | 0.29 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| ARMS-mediated activation | |
| CREB phosphorylation through the activation of Ras | |
| Frs2-mediated activation | |
| Signalling to p38 via RIT and RIN | |
| Spry regulation of FGF signaling |
