| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 7th, 2005 | 20 | No |
Popular Name: 3,4-Dimethyl-2,6-dinitro-N-(pentan-3-yl)aniline 3,4-Dimethyl-2,6-dinitro-N-(pent…
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CAS Number: 40487-42-1
| 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) | 4.81 | 8.89 | -6.58 | 1 | 7 | 0 | 104 | 281.312 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z102116-1-O | Toxoplasma Gondii RH (cluster #1 Of 2), Other | Other | 9700 | 0.35 | Functional ≤ 10μM |
| Z50424-1-O | Cryptosporidium Parvum (cluster #1 Of 2), Other | Other | 190 | 0.47 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50424 | Z50424 | Cryptosporidium Parvum | 190 | 0.47 | Functional ≤ 10μM |
| Z102116 | Z102116 | Toxoplasma Gondii RH | 1000 | 0.42 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.