| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 19th, 2007 | 20 | No |
Popular Name: trimethylBLAHone trimethylBLAHone
| 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) | 3.32 | -0.62 | -9.32 | 0 | 5 | 0 | 54 | 282.336 | 0 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50136-1-O | Plasmodium Falciparum (isolate FcB1 / Columbia) (cluster #1 Of 3), Other | Other | 12 | 0.55 | Functional ≤ 10μM |
| Z50425-1-O | Plasmodium Falciparum (cluster #1 Of 22), Other | Other | 9900 | 0.35 | Functional ≤ 10μM |
| Z50426-3-O | Plasmodium Falciparum (isolate K1 / Thailand) (cluster #3 Of 9), Other | Other | 10 | 0.56 | Functional ≤ 10μM |
| Z50436-3-O | Filobasidiella Neoformans (cluster #3 Of 3), Other | Other | 250 | 0.46 | Functional ≤ 10μM |
| Z50472-2-O | Toxoplasma Gondii (cluster #2 Of 4), Other | Other | 800 | 0.43 | Functional ≤ 10μM |
| Z50473-2-O | Plasmodium Berghei (cluster #2 Of 5), Other | Other | 9 | 0.56 | Functional ≤ 10μM |
| Z80136-4-O | FM3A (Breast Carcinoma Cells) (cluster #4 Of 6), Other | Other | 10000 | 0.35 | Functional ≤ 10μM |
| Z81338-3-O | T-cells (cluster #3 Of 3), Other | Other | 4430 | 0.37 | Functional ≤ 10μM |
| Z80136-1-O | FM3A (Breast Carcinoma Cells) (cluster #1 Of 1), Other | Other | 10000 | 0.35 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50436 | Z50436 | Filobasidiella Neoformans | 250 | 0.46 | Functional ≤ 10μM |
| Z80136 | Z80136 | FM3A (Breast Carcinoma Cells) | 10 | 0.56 | Functional ≤ 10μM |
| Z50473 | Z50473 | Plasmodium Berghei | 10 | 0.56 | Functional ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 0.1 | 0.70 | Functional ≤ 10μM |
| Z50136 | Z50136 | Plasmodium Falciparum (isolate FcB1 / Columbia) | 12.2 | 0.55 | Functional ≤ 10μM |
| Z50426 | Z50426 | Plasmodium Falciparum (isolate K1 / Thailand) | 10 | 0.56 | Functional ≤ 10μM |
| Z81338 | Z81338 | T-cells | 4430 | 0.37 | Functional ≤ 10μM |
| Z50472 | Z50472 | Toxoplasma Gondii | 1510 | 0.41 | Functional ≤ 10μM |
| Z80136 | Z80136 | FM3A (Breast Carcinoma Cells) | 10000 | 0.35 | ADME/T ≤ 10μM |
