| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2010 | 16 | Yes |
Popular Name: N-[[5-[(4-chloropyrazol-1-yl)methyl]isoxazol-3-yl]methyl]ethanamine N-[[5-[(4-chloropyrazol-1-yl)met…
| 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) | 1.49 | 4.52 | -44.65 | 2 | 5 | 1 | 60 | 241.702 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.49 | 3.14 | -8.7 | 1 | 5 | 0 | 56 | 240.694 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
