In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 7th, 2005 | 28 | No |
Popular Name: ACID BLUE 62 ACID BLUE 62
Find On: PubMed — Wikipedia — Google
CAS Numbers: 4368-56-3 , [4368-56-3]
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) | 2.41 | 4.51 | -45.65 | 3 | 7 | -1 | 129 | 399.448 | 3 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
5NTD-1-E | 5'-nucleotidase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1660 | 0.29 | Binding ≤ 10μM |
P2RX2-1-E | P2X Purinoceptor 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1000 | 0.30 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
5NTD_RAT | P21588 | 5'-nucleotidase, Rat | 1660 | 0.29 | Binding ≤ 10μM |
P2RX2_RAT | P49653 | P2X Purinoceptor 2, Rat | 1000 | 0.30 | Functional ≤ 10μM |