| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2009 | 21 | Yes |
Popular Name: 4-fluoro-3-[(4-methylpiperazin-1-yl)methyl]benzothiophene-2-carboxylic 4-fluoro-3-[(4-methylpiperazin-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) | 2.46 | 7.43 | -52.52 | 1 | 4 | 0 | 48 | 308.378 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.46 | 7.33 | -33.4 | 1 | 4 | 0 | 48 | 308.378 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.46 | 5.07 | -51.87 | 0 | 4 | -1 | 47 | 307.37 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
