| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2011 | 18 | Yes |
Popular Name: N-methyl-1-[(2R,3R)-1-propyl-2-(3-thienyl)azepan-3-yl]methanamine N-methyl-1-[(2R,3R)-1-propyl-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) | 3.45 | 8.32 | -99.4 | 3 | 2 | 2 | 21 | 268.47 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.45 | 6.24 | -37.45 | 2 | 2 | 1 | 20 | 267.462 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
