| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2011 | 18 | Yes |
Popular Name: [(2R,3S)-2-(2,5-dimethyl-3-thienyl)-1-ethyl-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) | 2.41 | 4.58 | -43.03 | 3 | 2 | 1 | 31 | 267.462 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.41 | 6.73 | -101.37 | 4 | 2 | 2 | 32 | 268.47 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
