| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 4th, 2009 | 9 | No |
Popular Name: 2-Furancarboxylic acid, 4-amino-4,5-dihydro- (9CI) 2-Furancarboxylic acid, 4-amino-…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 96014-24-3 , 96093-49-1
| 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) | -0.91 | -0.92 | -73.59 | 3 | 4 | 0 | 77 | 129.115 | 1 | ↓ |
| Hi High (pH 8-9.5) | -0.91 | -1.24 | -47.9 | 2 | 4 | -1 | 75 | 128.107 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GABT-1-E | Gamma-amino-N-butyrate Transaminase (cluster #1 Of 3), Eukaryotic | Eukaryotes | 6300 | 0.81 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GABT_RAT | P50554 | Gamma-amino-N-butyrate Transaminase, Rat | 6300 | 0.81 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Degradation of GABA |
