| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 8 | Yes |
Popular Name: AMINOHYDROXYBUTYRIC ACID AMINOHYDROXYBUTYRIC ACID
Find On: PubMed — Wikipedia — Google
CAS Numbers: 352-21-6 , 40371-51-5 , 7013-05-0 , 7013-07-2 , 924-49-2
(R)-4-Amino-3-hydroxybutyricacid
(S)-(+)-4-Amino-3-hydroxybutyricacid
(S)-(+)-Amino-3-hydroxybutanoic acid
(S)-4-Amino-2-hydroxybutyric acid
(S)-4-Amino-3-hydroxybutanoic acid
3-hydroxy-GABA; 4-amino-3-hydroxybutyric acid; gamma-amino-beta-hydroxybutyric acid
352-21-6; D00174; gamma-Amino-beta-hydroxybutyric acid (JAN)
4-Amino-3-hydroxy-butyric acid
4-amino-3-hydroxybutanoate; 4-ammonio-3-hydroxybutanoate
4-Amino-3-hydroxybutanoic acid
4-Amino-3-Hydroxybutyric Acid [924-49-2]; (H-GABOB-OH)
4-AMINO-3-HYDROXYBUTYRIC ACID; [924-49-2]
butanoic acid, 4-amino-3-hydroxy-
Butanoic acid,4-amino-3-hydroxy-
DL-4-Amino-3-hydroxybutyric acid
DL-4-Amino-3-hydroxybutyric acid, 98%
gamma-amino-beta-hydroxybutyric acid
Gamma-Amino-Beta-Hydroxybutyric Acid (JAN)
| 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) | -2.01 | -1.68 | -65.44 | 4 | 4 | 0 | 88 | 119.12 | 3 | ↓ |
| Hi High (pH 8-9.5) | -2.01 | -2.13 | -46.47 | 3 | 4 | -1 | 86 | 118.112 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 202 | Acros Organics |
| MP | 218-219o C | Indofine |
| MP | 223 °C (dec.)(lit.) | Indofine |
| Purity | 95% | Fluorochem |
| Therapy | antiepileptic | SMDC Pharmakon |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GBRG1-6-E | GABA Receptor Gamma-1 Subunit (cluster #6 Of 7), Eukaryotic | Eukaryotes | 400 | 1.12 | Binding ≤ 10μM |
| Z104301-5-O | GABA-A Receptor; Anion Channel (cluster #5 Of 8), Other | Other | 900 | 1.06 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GBRG1_RAT | P23574 | GABA Receptor Gamma-1 Subunit, Rat | 400 | 1.12 | Binding ≤ 1μM |
| Z104301 | Z104301 | GABA-A Receptor; Anion Channel | 200 | 1.17 | Binding ≤ 1μM |
| GBRG1_RAT | P23574 | GABA Receptor Gamma-1 Subunit, Rat | 400 | 1.12 | Binding ≤ 10μM |
| Z104301 | Z104301 | GABA-A Receptor; Anion Channel | 200 | 1.17 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.