| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 17th, 2007 | 15 | No |
Popular Name: 2-[hydroxy(4-nitrophenyl)methyl]prop-2-enenitrile 2-[hydroxy(4-nitrophenyl)methyl]…
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CAS Number: 127489-24-1
| 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) | 1.45 | 4.3 | -14.79 | 1 | 5 | 0 | 90 | 204.185 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 64 - 66 | Enamine Building Blocks |
| MP | 64...66 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50457-2-O | Leishmania Amazonensis (cluster #2 Of 3), Other | Other | 7900 | 0.48 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50457 | Z50457 | Leishmania Amazonensis | 7900 | 0.48 | Functional ≤ 10μM |
