| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2004 | 17 | No |
Popular Name: 3,8-Dimethyl-5-isopropyl-1,2-naphthalenedione; 5574-34-5; C10371; Mansonone C 3,8-Dimethyl-5-isopropyl-1,2-nap…
Find On: PubMed — Wikipedia — Google
CAS Number: 5574-34-5
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| 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) | 3.44 | 3.09 | -9.47 | 0 | 2 | 0 | 34 | 228.291 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z101879-1-O | Leptomonas Seymouri (cluster #1 Of 1), Other | Other | 4000 | 0.44 | Functional ≤ 10μM |
| Z50456-1-O | Crithidia Fasciculata (cluster #1 Of 1), Other | Other | 6000 | 0.43 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50456 | Z50456 | Crithidia Fasciculata | 6000 | 0.43 | Functional ≤ 10μM |
| Z101879 | Z101879 | Leptomonas Seymouri | 4000 | 0.44 | Functional ≤ 10μM |
