| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 16 | Yes |
Popular Name: [(2R,3R)-1-methyl-2-(5-methyl-2-furyl)azepan-3-yl]methanamine [(2R,3R)-1-methyl-2-(5-methyl-2-…
| 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) | 1.49 | 5.66 | -105.61 | 4 | 3 | 2 | 45 | 224.348 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.49 | 5.38 | -31.89 | 3 | 3 | 1 | 44 | 223.34 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.49 | 3.72 | -44.77 | 3 | 3 | 1 | 44 | 223.34 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
