| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2010 | 20 | Yes |
Popular Name: [4-fluoro-3-[(4-methylpiperazin-1-yl)methyl]benzothiophen-2-yl]methanamine [4-fluoro-3-[(4-methylpiperazin-…
| 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) | 2.07 | 4.9 | -99.11 | 4 | 3 | 2 | 35 | 295.427 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.07 | 2.13 | -5.1 | 2 | 3 | 0 | 32 | 293.411 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.07 | 2.53 | -46.42 | 3 | 3 | 1 | 34 | 294.419 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.07 | 5.05 | -116.97 | 4 | 3 | 2 | 35 | 295.427 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
