| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2010 | 20 | Yes |
Popular Name: 1-[3-[(4-chloropyrazol-1-yl)methyl]-4-fluoro-benzothiophen-2-yl]-N-methyl-methanamine 1-[3-[(4-chloropyrazol-1-yl)meth…
| 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) | 3.40 | 7.94 | -42.8 | 2 | 3 | 1 | 34 | 310.805 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.40 | 6.49 | -5.67 | 1 | 3 | 0 | 30 | 309.797 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
