| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 26 | Yes |
2,5-DIMETHYL-4-[2-(PHENYLMETHYL)BENZOYL]-1H-PYRROLE-3-CARBOXYLIC ACID METHYL ESTER
4-(2-Benzyl-benzoyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester; Fpl 64176; Fpl-64176
| 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) | 4.35 | 11.64 | -13.6 | 1 | 4 | 0 | 59 | 347.414 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 10000 | 0.27 | Functional ≤ 10μM |
| Z50512-1-O | Cavia Porcellus (cluster #1 Of 7), Other | Other | 49 | 0.39 | Functional ≤ 10μM |
| Z80141-1-O | GH3 (Pituitary Adenoma Cells) (cluster #1 Of 1), Other | Other | 16 | 0.42 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50512 | Z50512 | Cavia Porcellus | 35.5 | 0.40 | Functional ≤ 10μM |
| Z80141 | Z80141 | GH3 (Pituitary Adenoma Cells) | 140 | 0.37 | Functional ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 10000 | 0.27 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.