| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 16 | Yes |
Popular Name: N-methyl-1-[(2S,3R)-1-methyl-2-(3-thienyl)azepan-3-yl]methanamine N-methyl-1-[(2S,3R)-1-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) | 2.58 | 5.15 | -36.79 | 2 | 2 | 1 | 20 | 239.408 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.58 | 7.12 | -96.57 | 3 | 2 | 2 | 21 | 240.416 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
