| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2010 | 21 | Yes |
Popular Name: 1-[4-fluoro-3-[(4-methylpiperazin-1-yl)methyl]benzothiophen-2-yl]-N-methyl-methanamine 1-[4-fluoro-3-[(4-methylpiperazi…
| 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 | 6.78 | -90 | 3 | 3 | 2 | 24 | 309.454 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.44 | 2.96 | -4.94 | 1 | 3 | 0 | 19 | 307.438 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.44 | 4.41 | -42.99 | 2 | 3 | 1 | 23 | 308.446 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.44 | 6.66 | -108.27 | 3 | 3 | 2 | 24 | 309.454 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
