| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 12th, 2009 | 19 | Yes |
Popular Name: (2S)-2-cyano-3,3-dimethyl-N-(3-phenylpropyl)butanamide (2S)-2-cyano-3,3-dimethyl-N-(3-p…
| 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) | 3.60 | 7.7 | -8.87 | 1 | 3 | 0 | 53 | 258.365 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SCYD-1-F | Scytalone Dehydratase (cluster #1 Of 1), Fungal | Fungi | 14 | 0.58 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SCYD_MAGO7 | P56221 | Scytalone Dehydratase, Mago7 | 13.6 | 0.58 | Binding ≤ 1μM |
| SCYD_MAGO7 | P56221 | Scytalone Dehydratase, Mago7 | 13.6 | 0.58 | Binding ≤ 10μM |
