In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 28th, 2004 | 20 | No |
1-Benzopyrylium,2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, chloride (1:1)
1154-78-5; C08652; Luteolinidin
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-1-benzopyrylium chloride
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) | -0.45 | -0.56 | -33.61 | 4 | 5 | 1 | 92 | 271.248 | 1 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | EP0785790A1; US4105675; WO1996011692A1; WO1997041137A1 | IBM Patent Data |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
CD38-1-E | Lymphocyte Differentiation Antigen CD38 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 6000 | 0.37 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
CD38_HUMAN | P28907 | Lymphocyte Differentiation Antigen CD38, Human | 6000 | 0.37 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.