| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 24th, 2009 | 48 | No |
| 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) | 5.08 | 17.56 | -29.32 | 0 | 11 | 0 | 88 | 659.738 | 10 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z102121-2-O | Trichophyton Mentagrophytes (cluster #2 Of 3), Other | Other | 150 | 0.20 | Functional ≤ 10μM |
| Z50046-1-O | Trichophyton Quinckeanum (cluster #1 Of 2), Other | Other | 1340 | 0.17 | Functional ≤ 10μM |
| Z50408-1-O | Issatchenkia Orientalis (cluster #1 Of 2), Other | Other | 870 | 0.18 | Functional ≤ 10μM |
| Z50409-1-O | Kluyveromyces Marxianus (cluster #1 Of 2), Other | Other | 130 | 0.20 | Functional ≤ 10μM |
| Z50442-1-O | Candida Albicans (cluster #1 Of 4), Other | Other | 40 | 0.22 | Functional ≤ 10μM |
| Z50443-1-O | Candida Glabrata (cluster #1 Of 1), Other | Other | 650 | 0.18 | Functional ≤ 10μM |
| Z50452-1-O | Trichophyton Rubrum (cluster #1 Of 2), Other | Other | 350 | 0.19 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50442 | Z50442 | Candida Albicans | 1830 | 0.17 | Functional ≤ 10μM |
| Z50443 | Z50443 | Candida Glabrata | 650 | 0.18 | Functional ≤ 10μM |
| Z50408 | Z50408 | Issatchenkia Orientalis | 870 | 0.18 | Functional ≤ 10μM |
| Z50409 | Z50409 | Kluyveromyces Marxianus | 130 | 0.20 | Functional ≤ 10μM |
| Z102121 | Z102121 | Trichophyton Mentagrophytes | 150 | 0.20 | Functional ≤ 10μM |
| Z50046 | Z50046 | Trichophyton Quinckeanum | 1340 | 0.17 | Functional ≤ 10μM |
| Z50452 | Z50452 | Trichophyton Rubrum | 190 | 0.20 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.