| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 25 | Yes |
Popular Name: 4-[(1,3-benzodioxol-5-ylmethylamino)methyl]-2-isobutyl-N,N,5-trimethyl-pyrazol-3-amine 4-[(1,3-benzodioxol-5-ylmethylam…
| 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) | 2.73 | 8.35 | -49.53 | 2 | 6 | 1 | 56 | 345.467 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.73 | 7.67 | -30.82 | 2 | 6 | 1 | 53 | 345.467 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.73 | 7.19 | -9.01 | 1 | 6 | 0 | 52 | 344.459 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.73 | 9.1 | -108.69 | 3 | 6 | 2 | 57 | 346.475 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
