| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 15 | Yes |
Popular Name: [(2R,3R)-2-(2-furyl)-1-methyl-azepan-3-yl]methanamine [(2R,3R)-2-(2-furyl)-1-methyl-az…
| 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) | 1.26 | 4.85 | -99.65 | 4 | 3 | 2 | 45 | 210.321 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.26 | 4.53 | -31.99 | 3 | 3 | 1 | 44 | 209.313 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.26 | 2.87 | -44.79 | 3 | 3 | 1 | 44 | 209.313 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
