| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 15th, 2009 | 26 | No |
Popular Name: 2-[5-(3,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]-4,6-dinitro-phenol 2-[5-(3,4-dichlorophenyl)-1H-1,2…
| 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) | 4.46 | 9.84 | -26.19 | 1 | 10 | -1 | 156 | 395.138 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.46 | 9.74 | -96.18 | 0 | 10 | -2 | 155 | 394.13 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 4.46 | 8.98 | -10.66 | 2 | 10 | 0 | 153 | 396.146 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KINA-1-B | Sporulation Kinase A (cluster #1 Of 1), Bacterial | Bacteria | 8000 | 0.27 | Binding ≤ 10μM |
| SP0F-1-B | Sporulation Initiation Phosphotransferase F (cluster #1 Of 1), Bacterial | Bacteria | 8000 | 0.27 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SP0F_BACSU | P06628 | Sporulation Initiation Phosphotransferase F, Bacsu | 8000 | 0.27 | Binding ≤ 10μM |
| KINA_BACSU | P16497 | Sporulation Kinase A, Bacsu | 8000 | 0.27 | Binding ≤ 10μM |
