| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 20th, 2008 | 14 | No |
| 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) | -0.41 | 6.01 | -25.83 | 2 | 3 | 0 | 57 | 211.286 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.41 | 6.55 | -47.51 | 2 | 3 | -1 | 57 | 210.278 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CBPA1-1-E | Carboxypeptidase A1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 190 | 0.67 | Binding ≤ 10μM |
| CBPA1-1-E | Carboxypeptidase A1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 270 | 0.66 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CBPA1_BOVIN | P00730 | Carboxypeptidase A1, Bovin | 270 | 0.66 | Binding ≤ 1μM |
| CBPA1_BOVIN | P00730 | Carboxypeptidase A1, Bovin | 270 | 0.66 | Binding ≤ 10μM |
