In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 21st, 2008 | 23 | Yes |
Popular Name: (2S)-2-[[(1S)-2-hydroxy-2-oxo-1-phenyl-ethyl]carbamoylamino]pentanedioic (2S)-2-[[(1S)-2-hydroxy-2-oxo-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) | -1.86 | 3.81 | -194.68 | 2 | 9 | -3 | 162 | 321.265 | 8 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
NALD2-1-E | NAALADase II (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2 | 0.53 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
NALD2_HUMAN | Q9Y3Q0 | NAALADase II, Human | 2.1 | 0.53 | Binding ≤ 1μM |
NALD2_HUMAN | Q9Y3Q0 | NAALADase II, Human | 2.1 | 0.53 | Binding ≤ 10μM |