In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 15th, 2009 | 14 | Yes |
Popular Name: N-methyl-N-(2-octahydroisoquinolin-2(1H)-ylethyl)amine N-methyl-N-(2-octahydroisoquinol…
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 | 6.5 | -112.29 | 3 | 2 | 2 | 21 | 198.354 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.41 | 5.06 | -32.49 | 2 | 2 | 1 | 16 | 197.346 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.41 | 4.27 | -36.76 | 2 | 2 | 1 | 20 | 197.346 | 3 | ↓ |