| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2010 | 21 | Yes |
Popular Name: N-[[1-(3-methylpyrazol-1-yl)-3-isoquinolyl]methyl]propan-1-amine N-[[1-(3-methylpyrazol-1-yl)-3-i…
| 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) | 3.44 | 9.44 | -44.85 | 2 | 4 | 1 | 47 | 281.383 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.44 | 8.08 | -8.26 | 1 | 4 | 0 | 43 | 280.375 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
