In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 19 | Yes |
Popular Name: (1S,2R)-N2,N2-bis(2-methoxyethyl)-N1-methyl-cyclooctane-1,2-diamine (1S,2R)-N2,N2-bis(2-methoxyethyl…
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) | 2.49 | 4.24 | -29.19 | 2 | 4 | 1 | 38 | 273.441 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.49 | 3.96 | -2.14 | 1 | 4 | 0 | 34 | 272.433 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.49 | 5.12 | -26.21 | 2 | 4 | 1 | 35 | 273.441 | 8 | ↓ |