| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2010 | 21 | Yes |
Popular Name: 6-[(isobutylamino)methyl]-N-methyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]pyridazin-3-amine 6-[(isobutylamino)methyl]-N-meth…
| 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) | 2.26 | 7.46 | -40.65 | 2 | 5 | 1 | 55 | 293.435 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.26 | 6.23 | -6.19 | 1 | 5 | 0 | 50 | 292.427 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.26 | 7.56 | -98.15 | 3 | 5 | 2 | 56 | 294.443 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.26 | 7.58 | -110.01 | 3 | 5 | 2 | 56 | 294.443 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
