| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 26th, 2008 | 33 | No |
(2,3-Dihydroxybenzoyl)adenylate
(2,3-dihydroxybenzoyl)adenylate; 2,3-dihydroxybenzoyl adenylate; 2,3-dihydroxybenzoyl-AMP; CPD-62
(2,3-Dihydroxybenzoyl)adenylate; C04030
2,3-dihydroxybenzoyl 5'-adenylate(1-)
adenosine 5'-(2,3-dihydroxybenzoyl hydrogen phosphate)
None
| 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) | -0.11 | -1.2 | -67.14 | 6 | 15 | -1 | 235 | 482.322 | 7 | ↓ |
| Lo Low (pH 4.5-6) | -0.11 | -0.95 | -76.41 | 7 | 15 | 0 | 237 | 483.33 | 7 | ↓ |
| Lo Low (pH 4.5-6) | -0.11 | -5.36 | -73.55 | 7 | 15 | 0 | 237 | 483.33 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| UniProt Database Links | ENTE_ECO57; ENTE_ECOLI | ChEBI |
No pre-computed analogs available. Try a structural similarity search.