| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 30th, 2006 | 31 | Yes |
| 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) | -4.93 | -8.33 | -441.51 | 17 | 12 | 5 | 225 | 454.589 | 6 | ↓ |
| Hi High (pH 8-9.5) | -4.93 | -10.41 | -105.69 | 14 | 12 | 2 | 217 | 451.565 | 6 | ↓ |
| Hi High (pH 8-9.5) | -4.93 | -9.54 | -105.31 | 14 | 12 | 2 | 217 | 451.565 | 6 | ↓ |
| Mid Mid (pH 6-8) | -4.93 | -8.51 | -312.29 | 16 | 12 | 4 | 223 | 453.581 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z100263-1-O | Ribosomal RNA A-site (cluster #1 Of 1), Other | Other | 1700 | 0.26 | Binding ≤ 10μM |
| Z50212-7-O | Escherichia Coli (cluster #7 Of 7), Other | Other | 59 | 0.33 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z100263 | Z100263 | Ribosomal RNA A-site | 1700 | 0.26 | Binding ≤ 10μM |
| Z50212 | Z50212 | Escherichia Coli | 59 | 0.33 | Functional ≤ 10μM |
