| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2010 | 24 | Yes |
Popular Name: 1-Benzyl-2-(2-(1-methyl-1H-pyrrol-2-yl)ethyl)-1H-benzo[d]imidazole 1-Benzyl-2-(2-(1-methyl-1H-pyrro…
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CAS Number: 1242165-91-8
| 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) | 4.40 | 13.15 | -9.89 | 0 | 3 | 0 | 23 | 315.42 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 4.40 | 13.62 | -31.98 | 1 | 3 | 1 | 24 | 316.428 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50606-1-O | Hepatitis B Virus (cluster #1 Of 3), Other | Other | 410 | 0.37 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50606 | Z50606 | Hepatitis B Virus | 410 | 0.37 | Functional ≤ 10μM |
![1-benzyl-2-[2-(1H-pyrrol-2-yl)ethyl]benzimidazole](http://zinc12.docking.org/img/rings/40835.gif)
