| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 4th, 2005 | 14 | No |
Popular Name: Nitrofurazone Nitrofurazone
(2E)-2-[(5-Nitro-2-furyl)methylene]hydrazinecarboxamide
5-Nitro-2-furaldehyde semicarbazone
5-Nitro-2-furaldehyde semicarbazone, 98+%
5-Nitro-2-furaldehyde semicarbazone; 59-87-0; C08042; Nitrofurazone
5-Nitro-2-furfural semicarbazone
59-87-0; D00862; Furacin (TN); Nitrofural (INN); Nitrofurazone (USP)
59-87-0; Nitrofural; Prestwick_806
hydrazinecarboxamide, 2-[(5-nitro-2-furanyl)methylene]-, (2E)-
| 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) | 0.68 | -0.73 | -20.5 | 3 | 8 | 0 | 126 | 198.138 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Molecular_Solubility | 2.534 | Bitter DB |
| ALOGPS_SOLUBILITY | 2.68e-01 g/l | DrugBank-approved |
| Purity | 97% | APIChem |
| Target | Antifection | Selleck Chemicals |
| Therapy | antiinfective (topical) | SMDC Iconix |
| Melting_Point | ca 240? dec. | Alfa-Aesar |
| Melting_Point | ca 240° dec. | Alfa-Aesar |
| Target | Others | Selleck Chemicals |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50418-2-O | Trypanosoma Brucei (cluster #2 Of 6), Other | Other | 3700 | 0.54 | Functional ≤ 10μM |
| Z50466-7-O | Trypanosoma Cruzi (cluster #7 Of 8), Other | Other | 8000 | 0.51 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50418 | Z50418 | Trypanosoma Brucei | 310 | 0.65 | Functional ≤ 10μM |
| Z50466 | Z50466 | Trypanosoma Cruzi | 8000 | 0.51 | Functional ≤ 10μM |
