| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 24th, 2009 | 19 | No |
Popular Name: (2R)-2-ethyl-2-methyl-3,4-dihydrobenzo[h]chromene-5,6-dione (2R)-2-ethyl-2-methyl-3,4-dihydr…
None
| 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) | 3.45 | 8.71 | -10.44 | 0 | 3 | 0 | 43 | 256.301 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z101879-1-O | Leptomonas Seymouri (cluster #1 Of 1), Other | Other | 300 | 0.48 | Functional ≤ 10μM |
| Z50456-1-O | Crithidia Fasciculata (cluster #1 Of 1), Other | Other | 800 | 0.45 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50456 | Z50456 | Crithidia Fasciculata | 800 | 0.45 | Functional ≤ 10μM |
| Z101879 | Z101879 | Leptomonas Seymouri | 300 | 0.48 | Functional ≤ 10μM |
