| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 11 | Yes |
Popular Name: alanylalanine alanylalanine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1948-31-8 , 2392-61-2 , 2867-20-1 , 59247-16-4 , 731026-27-0
(S)-2-((S)-2-Aminopropanamido)propanoic acid
AA; Ala-Ala; L-Ala-L-Ala; N-L-alanyl-L-alanine
Ala-Ala; L-Alanyl-L-alanine; N-L-Alanyl-L-alanine; bmse000403
D-Alanyl-L-Alanine [1115-78-2]; (H-D-Ala-Ala-OH.HCl)
D-ALANYL-L-ALANINE; [1115-78-2]
| 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) | -3.26 | -3.82 | -63.85 | 4 | 5 | 0 | 96 | 160.173 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 220-221o C | Indofine |
| UniProt Database Links | ALAE_ECOLI | ChEBI |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| S15A2-1-E | Solute Carrier Family 15 Member 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 6000 | 0.66 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| S15A2_HUMAN | Q16348 | Solute Carrier Family 15 Member 2, Human | 6000 | 0.66 | ADME/T ≤ 10μM |
| Description | Species |
|---|---|
| Proton/oligonucleotide cotransporters |
