In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 20 | Yes |
Popular Name: (1R,2S)-N1-[(1S)-1-cyclopropylethyl]-N1-(2-methoxyethyl)-N2-methyl-cyclooctane-1,2-diamine (1R,2S)-N1-[(1S)-1-cyclopropylet…
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) | 3.71 | 6.87 | -28.82 | 2 | 3 | 1 | 26 | 283.48 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.71 | 5.94 | -35.49 | 2 | 3 | 1 | 29 | 283.48 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.71 | 4.86 | -0.63 | 1 | 3 | 0 | 24 | 282.472 | 7 | ↓ |