| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2005 | 18 | Yes |
Popular Name: 6-bromo-4-(4-methylpiperazin-1-yl)quinazoline 6-bromo-4-(4-methylpiperazin-1-y…
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CAS Number: 307538-54-1
| 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) | 2.44 | 8.85 | -40.47 | 1 | 4 | 1 | 33 | 308.203 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.44 | 6.5 | -4.63 | 0 | 4 | 0 | 32 | 307.195 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HD-1-E | Huntingtin (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1310 | 0.46 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HD_HUMAN | P42858 | Huntingtin, Human | 1310 | 0.46 | Binding ≤ 10μM |
