| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 22nd, 2006 | 21 | No |
Popular Name: 3-([(4-Chlorophenyl)sulfonyl]methyl)-N-hydroxybenzenecarboximidamide 3-([(4-Chlorophenyl)sulfonyl]met…
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CAS Number: 583059-52-3
3-[(4-CHLOROPHENYL)SULFONYL]METHYL-N-HYDROXYBENZENECARBOXIMIDAMIDE
3-[(4-Chlorophenylsulfonyl)methyl]benzamidoxime
3-{[(4-chlorophenyl)sulfonyl]methyl}-N'-hydroxybenzenecarboximidamide
| 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) | 1.37 | 3.36 | -15.58 | 3 | 5 | 0 | 93 | 324.789 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRTS-1-E | Bifunctional Dihydrofolate Reductase-thymidylate Synthase (cluster #1 Of 3), Eukaryotic | Eukaryotes | 800 | 0.41 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRTS_PLAFK | P13922 | Dihydrofolate Reductase, Plafk | 800 | 0.41 | Binding ≤ 1μM |
| DRTS_PLAFK | P13922 | Dihydrofolate Reductase, Plafk | 800 | 0.41 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.