In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 29th, 2005 | 28 | Yes |
Popular Name: 4-[bis(4-hydroxy-3-methoxy-phenyl)methyl]-2-methoxy-phenol 4-[bis(4-hydroxy-3-methoxy-pheny…
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) | 3.11 | -2.28 | -13 | 3 | 6 | 0 | 88 | 382.412 | 6 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Q49PX0-1-V | N1L (cluster #1 Of 1), Viral | Viruses | 8800 | 0.25 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Q49PX0_9POXV | Q49PX0 | N1L, 9poxv | 8800 | 0.25 | Binding ≤ 10μM |