In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 24th, 2010 | 16 | Yes |
Popular Name: N-(2-octahydroisoquinolin-2(1H)-ylethyl)-N-propylamine N-(2-octahydroisoquinolin-2(1H)-…
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) | 2.94 | 8.1 | -115.72 | 3 | 2 | 2 | 21 | 226.408 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.94 | 5.87 | -36.8 | 2 | 2 | 1 | 20 | 225.4 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.94 | 6.76 | -32.75 | 2 | 2 | 1 | 16 | 225.4 | 5 | ↓ |