| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 26th, 2008 | 22 | No |
Popular Name: (2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenyl-butanethioyl]amino]-4-methyl-pentanoic (2S)-2-[[(2S,3R)-3-amino-2-hydro…
| 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) | -0.94 | 4.97 | -49.88 | 4 | 5 | -1 | 98 | 323.438 | 9 | ↓ |
| Ref Reference (pH 7) | -0.94 | 5.19 | -49.58 | 5 | 5 | 0 | 100 | 324.446 | 9 | ↓ |
| Hi High (pH 8-9.5) | 0.01 | 2.92 | -123.61 | 3 | 5 | -2 | 99 | 322.43 | 8 | ↓ |
| Mid Mid (pH 6-8) | 0.01 | 4.09 | -61.35 | 5 | 5 | 0 | 102 | 324.446 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 0.01 | 3.2 | -84.04 | 4 | 5 | -1 | 100 | 323.438 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AMPB-1-E | Aminopeptidase B (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2400 | 0.36 | Binding ≤ 10μM |
| AMPL-1-E | Leucine Aminopeptidase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 330 | 0.41 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AMPL_HUMAN | P28838 | Leucine Aminopeptidase, Human | 330 | 0.41 | Binding ≤ 1μM |
| AMPB_RAT | O09175 | Aminopeptidase B, Rat | 2400 | 0.36 | Binding ≤ 10μM |
| AMPL_HUMAN | P28838 | Leucine Aminopeptidase, Human | 330 | 0.41 | Binding ≤ 10μM |
