| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 17 | Yes |
Popular Name: 1-[3,5-dimethyl-1-[(5-methylisoxazol-3-yl)methyl]pyrazol-4-yl]-N-methyl-methanamine 1-[3,5-dimethyl-1-[(5-methylisox…
| 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) | 0.86 | 4.73 | -47.34 | 2 | 5 | 1 | 60 | 235.311 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.86 | 3.28 | -14.06 | 1 | 5 | 0 | 56 | 234.303 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
