| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 23rd, 2009 | 39 | No |
Popular Name: [(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl] [(3aR,6aS)-1,2,3,3a,4,5,6,6a-oct…
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| 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) | 6.33 | 8.39 | -13.62 | 3 | 8 | 0 | 116 | 558.741 | 13 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q72874-1-V | Human Immunodeficiency Virus Type 1 Protease (cluster #1 Of 3), Viral | Viruses | 5 | 0.30 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q72874_9HIV1 | Q72874 | Human Immunodeficiency Virus Type 1 Protease, 9hiv1 | 5.3 | 0.30 | Binding ≤ 1μM |
| Q72874_9HIV1 | Q72874 | Human Immunodeficiency Virus Type 1 Protease, 9hiv1 | 5.3 | 0.30 | Binding ≤ 10μM |
![N-[3-(benzenesulfonamido)-1-benzyl-propyl]carbamic Acid 1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl Ester](http://zinc12.docking.org/img/rings/67137.gif)
