| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 25th, 2009 | 33 | Yes |
Popular Name: (2S)-2-[[4-[3-(2-amino-4-hydroxy-pteridin-6-yl)propyl]benzoyl]amino]pentanedioic (2S)-2-[[4-[3-(2-amino-4-hydroxy…
| 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) | -1.13 | 4.79 | -141.34 | 4 | 12 | -2 | 207 | 452.427 | 10 | ↓ |
| Hi High (pH 8-9.5) | -0.67 | 3.69 | -189 | 3 | 12 | -3 | 210 | 451.419 | 10 | ↓ |
| Lo Low (pH 4.5-6) | -1.13 | 3.66 | -88.47 | 5 | 12 | -1 | 204 | 453.435 | 10 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50266-1-O | Enterococcus Faecium (cluster #1 Of 1), Other | Other | 120 | 0.29 | Functional ≤ 10μM |
| Z50362-1-O | Lactobacillus Casei (cluster #1 Of 1), Other | Other | 2200 | 0.24 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50266 | Z50266 | Enterococcus Faecium | 120 | 0.29 | Functional ≤ 10μM |
| Z50362 | Z50362 | Lactobacillus Casei | 2200 | 0.24 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.