| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2010 | 21 | Yes |
Popular Name: N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzothiophen-2-yl]methyl]ethanamine N-[[3-[(3,5-dimethylpyrazol-1-yl…
| 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) | 3.49 | 9.55 | -32.27 | 2 | 3 | 1 | 34 | 300.451 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.49 | 8.16 | -6.87 | 1 | 3 | 0 | 30 | 299.443 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.49 | 9.39 | -93.04 | 3 | 3 | 2 | 36 | 301.459 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
