| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 15 | Yes |
Popular Name: (2R,3R)-1-methyl-2-(1-methylpyrazol-4-yl)azepan-3-amine (2R,3R)-1-methyl-2-(1-methylpyra…
| 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) | 0.07 | 1.25 | -37.4 | 3 | 4 | 1 | 49 | 209.317 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.07 | 1.13 | -4.4 | 2 | 4 | 0 | 47 | 208.309 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 0.07 | 3.39 | -34.34 | 3 | 4 | 1 | 48 | 209.317 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 0.07 | 3.49 | -107.68 | 4 | 4 | 2 | 50 | 210.325 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
