| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 7th, 2005 | 49 | No |
39868-96-7; C12032; Chlorobiocin; Clorobiocin
RP 18631; 18 631 R.P.; Clorobiocin; CHLOROBIOCIN; Chlorobiocin
| 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) | 5.73 | 10.32 | -58.32 | 4 | 13 | -1 | 193 | 696.129 | 10 | ↓ |
| Lo Low (pH 4.5-6) | 5.73 | 9.77 | -32.15 | 5 | 13 | 0 | 190 | 697.137 | 10 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q8T8E9-1-E | UDP-galactose 4-epimerase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5000 | 0.15 | Binding ≤ 10μM |
| GYRB-1-B | DNA Gyrase Subunit B (cluster #1 Of 1), Bacterial | Bacteria | 73 | 0.20 | Binding ≤ 10μM |
| Z50418-2-O | Trypanosoma Brucei (cluster #2 Of 6), Other | Other | 4400 | 0.15 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GYRB_ECOLI | P0AES6 | DNA Gyrase Subunit B, Ecoli | 5 | 0.24 | Binding ≤ 1μM |
| GYRB_ECOLI | P0AES6 | DNA Gyrase Subunit B, Ecoli | 5 | 0.24 | Binding ≤ 10μM |
| Q8T8E9_9TRYP | Q8T8E9 | UDP-galactose 4-epimerase, 9tryp | 5000 | 0.15 | Binding ≤ 10μM |
| Z50418 | Z50418 | Trypanosoma Brucei | 4400 | 0.15 | Functional ≤ 10μM |
