| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 13th, 2010 | 32 | No |
2-AMINO-5,6,7,8-TETRAHYDRO-4-(4-METHOXYPHENYL)-7-(NAPHTHALEN-1-YL)-5-OXO-4H-CHROMENE-3-CARBONITRILE
| 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) | 4.73 | 10.51 | -15.69 | 2 | 5 | 0 | 85 | 422.484 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 4.73 | 10.88 | -60.71 | 3 | 5 | 1 | 87 | 423.492 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EAA1-1-E | Excitatory Amino Acid Transporter 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 661 | 0.27 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EAA1_HUMAN | P43003 | Excitatory Amino Acid Transporter 1, Human | 120 | 0.30 | Binding ≤ 1μM |
| EAA1_RAT | P24942 | Excitatory Amino Acid Transporter 1, Rat | 954.992586 | 0.26 | Binding ≤ 1μM |
| EAA1_HUMAN | P43003 | Excitatory Amino Acid Transporter 1, Human | 120 | 0.30 | Binding ≤ 10μM |
| EAA1_RAT | P24942 | Excitatory Amino Acid Transporter 1, Rat | 954.992586 | 0.26 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Astrocytic Glutamate-Glutamine Uptake And Metabolism | |
| Transport of inorganic cations/anions and amino acids/oligopeptides |
