| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 4th, 2005 | 22 | Yes |
| 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) | 6.25 | 15.72 | -49.54 | 0 | 2 | -1 | 40 | 295.402 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z102121-1-O | Trichophyton Mentagrophytes (cluster #1 Of 3), Other | Other | 6700 | 0.33 | Functional ≤ 10μM |
| Z50416-2-O | Aspergillus Fumigatus (cluster #2 Of 3), Other | Other | 10000 | 0.32 | Functional ≤ 10μM |
| Z50442-2-O | Candida Albicans (cluster #2 Of 4), Other | Other | 8100 | 0.32 | Functional ≤ 10μM |
| Z50444-2-O | Candida Parapsilosis (cluster #2 Of 2), Other | Other | 5400 | 0.34 | Functional ≤ 10μM |
| Z50452-2-O | Trichophyton Rubrum (cluster #2 Of 2), Other | Other | 8400 | 0.32 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50416 | Z50416 | Aspergillus Fumigatus | 10000 | 0.32 | Functional ≤ 10μM |
| Z50442 | Z50442 | Candida Albicans | 1700 | 0.37 | Functional ≤ 10μM |
| Z50444 | Z50444 | Candida Parapsilosis | 5400 | 0.34 | Functional ≤ 10μM |
| Z102121 | Z102121 | Trichophyton Mentagrophytes | 6700 | 0.33 | Functional ≤ 10μM |
| Z50452 | Z50452 | Trichophyton Rubrum | 2900 | 0.35 | Functional ≤ 10μM |
