| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2010 | 18 | Yes |
Popular Name: [4-fluoro-3-(imidazol-1-ylmethyl)benzothiophen-2-yl]methanamine [4-fluoro-3-(imidazol-1-ylmethyl…
| 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) | 2.02 | 7.35 | -103.86 | 4 | 3 | 2 | 47 | 263.341 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.02 | 6.8 | -8.58 | 2 | 3 | 0 | 44 | 261.325 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.02 | 6.84 | -59.69 | 3 | 3 | 1 | 45 | 262.333 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
