In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2010 | 20 | 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) | 3.35 | 7.66 | -11.67 | 0 | 3 | 0 | 35 | 260.296 | 0 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z80583-3-O | Vero (Kidney Cells) (cluster #3 Of 3), Other | Other | 1750 | 0.40 | ADME/T ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z80583 | Z80583 | Vero (Kidney Cells) | 1750 | 0.40 | ADME/T ≤ 10μM |