| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 20th, 2008 | 14 | No |
Popular Name: 2-(Phosphonomethyl)pentanedioic acid 2-(Phosphonomethyl)pentanedioic …
Find On: PubMed — Wikipedia — Google
CAS Numbers: 173039-10-6 , [173039-10-6]
| 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) | -1.54 | 2.08 | -195.36 | 1 | 7 | -3 | 141 | 223.097 | 6 | ↓ |
| Hi High (pH 8-9.5) | -1.54 | 3.17 | -322.37 | 0 | 7 | -4 | 143 | 222.089 | 6 | ↓ |
| Lo Low (pH 4.5-6) | -1.54 | 0.1 | -121.68 | 2 | 7 | -2 | 138 | 224.105 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FOLH1-2-E | Glutamate Carboxypeptidase II (cluster #2 Of 2), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| FOLH1-2-E | Glutamate Carboxypeptidase II (cluster #2 Of 2), Eukaryotic | Eukaryotes | 1 | 0.90 | Binding ≤ 10μM |
| NALD2-1-E | NAALADase II (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1 | 0.90 | Binding ≤ 10μM |
| Z50597-2-O | Rattus Norvegicus (cluster #2 Of 12), Other | Other | 0 | 0.00 | Functional ≤ 10μM |
| Z50597-2-O | Rattus Norvegicus (cluster #2 Of 12), Other | Other | 1 | 0.90 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FOLH1_HUMAN | Q04609 | Glutamate Carboxypeptidase II, Human | 0.1 | 1.00 | Binding ≤ 1μM |
| FOLH1_RAT | P70627 | Glutamate Carboxypeptidase II, Rat | 0.1 | 1.00 | Binding ≤ 1μM |
| NALD2_HUMAN | Q9Y3Q0 | NAALADase II, Human | 1.4 | 0.89 | Binding ≤ 1μM |
| FOLH1_RAT | P70627 | Glutamate Carboxypeptidase II, Rat | 0.1 | 1.00 | Binding ≤ 10μM |
| FOLH1_HUMAN | Q04609 | Glutamate Carboxypeptidase II, Human | 0.1 | 1.00 | Binding ≤ 10μM |
| NALD2_HUMAN | Q9Y3Q0 | NAALADase II, Human | 1.4 | 0.89 | Binding ≤ 10μM |
| Z50597 | Z50597 | Rattus Norvegicus | 0.2 | 0.97 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.