| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2010 | 21 | Yes |
Popular Name: [4-fluoro-3-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzothiophen-2-yl]methanamine [4-fluoro-3-[(3,4,5-trimethylpyr…
| 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) | 3.24 | 7.24 | -52.81 | 3 | 3 | 1 | 45 | 304.414 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.24 | 7.01 | -10.74 | 2 | 3 | 0 | 44 | 303.406 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.24 | 7.08 | -100.5 | 4 | 3 | 2 | 47 | 305.422 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
