| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 11th, 2004 | 12 | Yes |
Popular Name: L-Theanine L-Theanine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 3081-61-6 , 34271-54-0 , 5822-62-8
(+)-Theanine;L-gamma-Glutamylethylamide;L-Theanine;N-gamma-Ethyl-L-glutamine;Theanine
2-Amino-5-(ethylamino)-5-oxopentanoic acid
| 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) | -3.01 | 0.19 | -50.26 | 4 | 5 | 0 | 97 | 174.2 | 5 | ↓ |
| Hi High (pH 8-9.5) | -3.01 | -0.13 | -49.25 | 3 | 5 | -1 | 95 | 173.192 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 99% Min | APIChem |
| PUBCHEM_PATENT_ID | EP1057483A1 | IBM Patent Data |
