| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2011 | 16 | Yes |
Popular Name: (3R,4S)-N-methyl-3-(2-propylimidazol-1-yl)tetrahydropyran-4-amine (3R,4S)-N-methyl-3-(2-propylimid…
| 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) | 1.03 | 5.62 | -97.64 | 3 | 4 | 2 | 45 | 225.336 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.03 | 3.89 | -4.74 | 1 | 4 | 0 | 39 | 223.32 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.03 | 5.28 | -42.74 | 2 | 4 | 1 | 44 | 224.328 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
