In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 7th, 2010 | 32 | 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) | 3.80 | 4.51 | -7.96 | 4 | 4 | 0 | 81 | 444.656 | 6 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z80437-1-O | RWLeu4 (cluster #1 Of 1), Other | Other | 8 | 0.35 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z80437 | Z80437 | RWLeu4 | 8 | 0.35 | Functional ≤ 10μM |