| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2010 | 17 | Yes |
Popular Name: 2-methyl-N-[[5-(pyrazol-1-ylmethyl)isoxazol-3-yl]methyl]propan-2-amine 2-methyl-N-[[5-(pyrazol-1-ylmeth…
| 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) | 1.69 | 4.96 | -40.04 | 2 | 5 | 1 | 60 | 235.311 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.69 | 3.73 | -8.72 | 1 | 5 | 0 | 56 | 234.303 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
