In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 28th, 2010 | 32 | Yes |
None
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) | 3.91 | 14.68 | -81.83 | 2 | 6 | 2 | 42 | 432.616 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.91 | 12.33 | -24.26 | 1 | 6 | 1 | 41 | 431.608 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.91 | 13.95 | -25.77 | 1 | 6 | 1 | 41 | 431.608 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.91 | 14.76 | -143.73 | 3 | 6 | 3 | 44 | 433.624 | 6 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z50607-1-O | Human Immunodeficiency Virus 1 (cluster #1 Of 10), Other | Other | 4 | 0.37 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z50607 | Z50607 | Human Immunodeficiency Virus 1 | 4 | 0.37 | Functional ≤ 10μM |