| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 14th, 2009 | 44 | No |
Popular Name: (2R,3S,4R,5R)-2,5-dibenzyloxy-1,6-bis[[4-(hydroxymethyl)phenyl]methoxy]hexane-3,4-diol (2R,3S,4R,5R)-2,5-dibenzyloxy-1,…
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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) | 4.42 | 8.12 | -14.29 | 4 | 8 | 0 | 118 | 602.724 | 19 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q72874-2-V | Human Immunodeficiency Virus Type 1 Protease (cluster #2 Of 3), Viral | Viruses | 1200 | 0.19 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q72874_9HIV1 | Q72874 | Human Immunodeficiency Virus Type 1 Protease, 9hiv1 | 1200 | 0.19 | Binding ≤ 10μM |
