| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2005 | 18 | Yes |
Popular Name: 2-(2,5-Dimethyl-pyrrol-1-yl)-3-phenyl-propionic acid 2-(2,5-Dimethyl-pyrrol-1-yl)-3-p…
Find On: PubMed — Wikipedia — Google
CAS Number: 130016-75-0
| 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) | 2.40 | 2.09 | -44.97 | 0 | 3 | -1 | 45 | 242.298 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CYSP-1-E | Cruzipain (cluster #1 Of 4), Eukaryotic | Eukaryotes | 1000 | 0.47 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CYSP_TRYCR | P25779 | Cruzipain, Trycr | 1000 | 0.47 | Binding ≤ 1μM |
| CYSP_TRYCR | P25779 | Cruzipain, Trycr | 1000 | 0.47 | Binding ≤ 10μM |
