| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2005 | 17 | Yes |
Popular Name: 5-Chloro-2-(2,5-dimethyl-pyrrol-1-yl)-benzoic acid 5-Chloro-2-(2,5-dimethyl-pyrrol-…
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CAS Number: 292058-57-2
| 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) | 3.03 | 8.86 | -50.65 | 0 | 3 | -1 | 45 | 248.689 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 124-127° | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50607-4-O | Human Immunodeficiency Virus 1 (cluster #4 Of 10), Other | Other | 8560 | 0.42 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50607 | Z50607 | Human Immunodeficiency Virus 1 | 8560 | 0.42 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.