| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 29th, 2006 | 22 | No |
Popular Name: Dinitramine Dinitramine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 29091-05-2 , [29091-05-2]
29091-05-2; C18785; Dinitramine
Cobex;N3,N3-Diethyl-2,4-dinitro-6-(trifluoromethyl)-1,3-benzenediamine
| 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) | 2.87 | 3.03 | -4.4 | 2 | 8 | 0 | 120 | 322.243 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z102116-1-O | Toxoplasma Gondii RH (cluster #1 Of 2), Other | Other | 89 | 0.45 | Functional ≤ 10μM |
| Z50472-1-O | Toxoplasma Gondii (cluster #1 Of 4), Other | Other | 70 | 0.46 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50472 | Z50472 | Toxoplasma Gondii | 70 | 0.46 | Functional ≤ 10μM |
| Z102116 | Z102116 | Toxoplasma Gondii RH | 320 | 0.41 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.