| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 16th, 2008 | 20 | Yes |
Popular Name: N-[(1R)-1-(4-bromophenyl)ethyl]-5-fluoro-2-hydroxy-benzamide N-[(1R)-1-(4-bromophenyl)ethyl]-…
| 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) | 4.53 | 6.68 | -8.35 | 2 | 3 | 0 | 49 | 338.176 | 3 | ↓ |
| Ref Reference (pH 7) | 4.05 | 3.6 | -6.45 | 2 | 3 | 0 | 53 | 338.176 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.05 | 4.36 | -39.04 | 1 | 3 | -1 | 56 | 337.168 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 4.05 | 4.65 | -35.24 | 3 | 3 | 1 | 54 | 339.184 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SCYD-1-F | Scytalone Dehydratase (cluster #1 Of 1), Fungal | Fungi | 0 | 0.00 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SCYD_MAGO7 | P56221 | Scytalone Dehydratase, Mago7 | 0.1 | 0.70 | Binding ≤ 1μM |
| SCYD_MAGO7 | P56221 | Scytalone Dehydratase, Mago7 | 0.1 | 0.70 | Binding ≤ 10μM |
