In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 9th, 2010 | 43 | No |
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) | 8.21 | 19.55 | -107.28 | 0 | 6 | -2 | 107 | 596.849 | 8 | ↓ |
Lo Low (pH 4.5-6) | 8.21 | 17.65 | -58.15 | 1 | 6 | -1 | 104 | 597.857 | 8 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z50607-8-O | Human Immunodeficiency Virus 1 (cluster #8 Of 10), Other | Other | 1 | 0.29 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z50607 | Z50607 | Human Immunodeficiency Virus 1 | 0.6 | 0.30 | Functional ≤ 10μM |