| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 12th, 2010 | 19 | Yes |
| 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) | 1.20 | 8.97 | -39.08 | 1 | 4 | 1 | 33 | 261.324 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.20 | 6.75 | -4.79 | 0 | 4 | 0 | 32 | 260.316 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HD-1-E | Huntingtin (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5260 | 0.39 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HD_HUMAN | P42858 | Huntingtin, Human | 5260 | 0.39 | Binding ≤ 10μM |
