In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 18 | Yes |
Popular Name: (1S,2R)-N1-ethyl-N2,N2-bis(2-methoxyethyl)cyclohexane-1,2-diamine (1S,2R)-N1-ethyl-N2,N2-bis(2-met…
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) | 1.86 | 3.99 | -27.41 | 2 | 4 | 1 | 38 | 259.414 | 9 | ↓ |
Hi High (pH 8-9.5) | 1.86 | 3.99 | -2.34 | 1 | 4 | 0 | 34 | 258.406 | 9 | ↓ |
Hi High (pH 8-9.5) | 1.86 | 4.87 | -26.01 | 2 | 4 | 1 | 35 | 259.414 | 9 | ↓ |