| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2011 | 20 | Yes |
Popular Name: 1-[(2R,3S)-2-(2,5-dimethyl-3-thienyl)-1-propyl-azepan-3-yl]-N-methyl-methanamine 1-[(2R,3S)-2-(2,5-dimethyl-3-thi…
| 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) | 3.90 | 9.95 | -96.84 | 3 | 2 | 2 | 21 | 296.524 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.90 | 8.05 | -36.76 | 2 | 2 | 1 | 20 | 295.516 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
