| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 25 | Yes |
Popular Name: 1-[4-(4-phenylphthalazin-2-ium-1-yl)piperazino]ethanone 1-[4-(4-phenylphthalazin-2-ium-1…
| 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) | 2.89 | 9.99 | -32.08 | 1 | 5 | 1 | 51 | 333.415 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.89 | 9.89 | -15.69 | 0 | 5 | 0 | 49 | 332.407 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SMO-1-E | Smoothened Homolog (cluster #1 Of 1), Eukaryotic | Eukaryotes | 91 | 0.39 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SMO_HUMAN | Q99835 | Smoothened Homolog, Human | 91 | 0.39 | Binding ≤ 1μM |
| SMO_HUMAN | Q99835 | Smoothened Homolog, Human | 91 | 0.39 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Class B/2 (Secretin family receptors) |
