| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 5th, 2004 | 19 | Yes |
Popular Name: 2-hydroxy-N-(3-phenylpropyl)benzamide 2-hydroxy-N-(3-phenylpropyl)benz…
Find On: PubMed — Wikipedia — Google
CAS Number: 153810-66-3
| 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) | 3.94 | 6.71 | -10.94 | 2 | 3 | 0 | 49 | 255.317 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.94 | 7.72 | -55.26 | 1 | 3 | -1 | 52 | 254.309 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 77 - 79 | Enamine Building Blocks |
| MP | 77...79 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SCYD-1-F | Scytalone Dehydratase (cluster #1 Of 1), Fungal | Fungi | 7 | 0.60 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SCYD_MAGO7 | P56221 | Scytalone Dehydratase, Mago7 | 230 | 0.49 | Binding ≤ 1μM |
| SCYD_MAGO7 | P56221 | Scytalone Dehydratase, Mago7 | 230 | 0.49 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.