| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 12th, 2008 | 16 | Yes |
Popular Name: N-(5-amino-4H-1,2,4-triazol-3-yl)benzenesulfonamide N-(5-amino-4H-1,2,4-triazol-3-yl…
Find On: PubMed — Wikipedia — Google
CAS Number: 104667-72-3
| 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) | 0.46 | 3.94 | -15.09 | 4 | 7 | 0 | 117 | 239.26 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.28 | 3.56 | -46.19 | 3 | 7 | -1 | 116 | 238.252 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.46 | 3.98 | -12.73 | 4 | 7 | 0 | 117 | 239.26 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 303 - 305 | Enamine Building Blocks |
| MP | 303...305 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50459-3-O | Leishmania Donovani (cluster #3 Of 8), Other | Other | 2000 | 0.50 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50459 | Z50459 | Leishmania Donovani | 2000 | 0.50 | Functional ≤ 10μM |
