| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 12th, 2005 | 31 | No |
Popular Name: 2,2,2-trifluoro-N-(hydroxy-trimethoxy-oxo-BLAHyl)-acetamide 2,2,2-trifluoro-N-(hydroxy-trime…
| 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) | 1.71 | 7.43 | -57.4 | 1 | 7 | -1 | 97 | 438.378 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.71 | 6.52 | -20.29 | 2 | 7 | 0 | 94 | 439.386 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.71 | 6.66 | -15.65 | 2 | 7 | 0 | 94 | 439.386 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50607-1-O | Human Immunodeficiency Virus 1 (cluster #1 Of 10), Other | Other | 200 | 0.30 | Functional ≤ 10μM |
| Z80897-1-O | H9 (T-lymphoid Cells) (cluster #1 Of 2), Other | Other | 570 | 0.28 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50607 | Z50607 | Human Immunodeficiency Virus 1 | 200 | 0.30 | Functional ≤ 10μM |
| Z80897 | Z80897 | H9 (T-lymphoid Cells) | 570 | 0.28 | ADME/T ≤ 10μM |
