In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 26th, 2009 | 23 | 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) | 3.85 | 8.12 | -40.21 | 3 | 4 | 1 | 46 | 320.501 | 4 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
HYES-2-E | Epoxide Hydrolase 2 (cluster #2 Of 3), Eukaryotic | Eukaryotes | 3900 | 0.33 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
HYES_HUMAN | P34913 | Epoxide Hydratase, Human | 3900 | 0.33 | Binding ≤ 10μM |
Description | Species |
---|---|
Synthesis of epoxy (EET) and dihydroxyeicosatrienoic acids (DHET) |