| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 7th, 2010 | 39 | Yes |
Popular Name: (2S)-1-[4-(difluoroBLAHyl)piperazin-1-yl]-3-(5-quinolyloxy)propan-2-ol (2S)-1-[4-(difluoroBLAHyl)pipera…
| 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) | 4.91 | 12.11 | -39.11 | 2 | 5 | 1 | 50 | 528.623 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.91 | 12.25 | -11.06 | 1 | 5 | 0 | 49 | 527.615 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.91 | 14.53 | -51.41 | 2 | 5 | 1 | 50 | 528.623 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 4.91 | 14.95 | -87.89 | 3 | 5 | 2 | 51 | 529.631 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 4.91 | 12.53 | -73.05 | 3 | 5 | 2 | 51 | 529.631 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80774-1-O | CHRC5 Cell Line (cluster #1 Of 1), Other | Other | 60 | 0.26 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80774 | Z80774 | CHRC5 Cell Line | 180 | 0.24 | Functional ≤ 10μM |
