| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 16th, 2008 | 15 | No |
Popular Name: 5-[(3R)-3-amino-4-hydroxy-4-oxo-butyl]sulfanylpentanoic 5-[(3R)-3-amino-4-hydroxy-4-oxo-…
| 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) | -1.95 | 3.6 | -85.67 | 3 | 5 | -1 | 108 | 234.297 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| BHMT1-1-E | Betaine--homocysteine S-methyltransferase 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 87 | 0.66 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| BHMT1_HUMAN | Q93088 | Betaine--homocysteine S-methyltransferase 1, Human | 138 | 0.64 | Binding ≤ 1μM |
| BHMT1_HUMAN | Q93088 | Betaine--homocysteine S-methyltransferase 1, Human | 138 | 0.64 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Sulfur amino acid metabolism |
