| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2011 | 19 | Yes |
Popular Name: [(2R,3S)-2-(2,5-dimethyl-3-thienyl)-1-propyl-azepan-3-yl]methanamine [(2R,3S)-2-(2,5-dimethyl-3-thien…
| 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) | 2.92 | 8.09 | -101.66 | 4 | 2 | 2 | 32 | 282.497 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.92 | 6.18 | -41.72 | 3 | 2 | 1 | 31 | 281.489 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
