| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 26th, 2008 | 20 | Yes |
Popular Name: (2S)-2-[[(1S)-1-carboxy-3-hydroxy-3-oxo-propyl]carbamoylamino]butanedioic (2S)-2-[[(1S)-1-carboxy-3-hydrox…
| 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) | -4.98 | 3.85 | -297.66 | 2 | 11 | -4 | 202 | 288.168 | 8 | ↓ |
| Mid Mid (pH 6-8) | -4.98 | 1.83 | -203.75 | 3 | 11 | -3 | 199 | 289.176 | 8 | ↓ |
| Mid Mid (pH 6-8) | -4.98 | 1.82 | -194.55 | 3 | 11 | -3 | 199 | 289.176 | 8 | ↓ |
| Lo Low (pH 4.5-6) | -4.98 | -0.16 | -119.28 | 4 | 11 | -2 | 196 | 290.184 | 8 | ↓ |
| Lo Low (pH 4.5-6) | -4.98 | -0.18 | -123.13 | 4 | 11 | -2 | 196 | 290.184 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FOLH1-1-E | Glutamate Carboxypeptidase II (cluster #1 Of 2), Eukaryotic | Eukaryotes | 3800 | 0.38 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FOLH1_RAT | P70627 | Glutamate Carboxypeptidase II, Rat | 3800 | 0.38 | Binding ≤ 10μM |
