Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| January 29th, 2006 |
24 |
No
|
Other Names:
1,3-Benzenediamine, 2,4-dinitro-N(sup 3),N(sup 3)-dipropyl-6-(trifluoromethyl)-; 1,3-Benzenediamine, 2,6-dinitro-N1,N1-dipropyl-4-(trifluoromethyl)-; 1,3-Diamino-N1,N1-dipropyl-2,6-dinitro-4-trifluoromethylbenzene; 2,4-Dinitro-N',N'-dipropyl-6-(trifluorom
29091-21-2; C18884; Prodiamine
MFCD00274604
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SMILES
Flexibase
Physical Representations
|
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)
|
3.88 |
9.45 |
-4 |
2 |
8 |
0 |
121 |
350.297 |
8 |
↓
|
Clustered Target Annotations
| Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
Z50472-1-O |
Toxoplasma Gondii (cluster #1 Of 4), Other |
Other |
36 |
0.43 |
Functional ≤ 10μM
|
No pre-computed analogs available. Try a structural similarity search.
