In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 2nd, 2009 | 50 | 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) | 9.55 | 37.05 | -71.77 | 0 | 2 | 2 | 0 | 707.358 | 43 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
PLB1-1-O | Phospholipase B (cluster #1 Of 1), Other | Other | 7500 | 0.14 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
PLB1_CRYNB | P0CP75 | Phospholipase B, Crynb | 7500 | 0.14 | Binding ≤ 10μM |