In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 16 | Yes |
Popular Name: (1S,2R)-N2-ethyl-N2-(2-methoxyethyl)-N1-propyl-cyclopentane-1,2-diamine (1S,2R)-N2-ethyl-N2-(2-methoxyet…
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) | 2.25 | 5.81 | -32.54 | 2 | 3 | 1 | 29 | 229.388 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.25 | 4.92 | -0.88 | 1 | 3 | 0 | 24 | 228.38 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.25 | 7.19 | -26.84 | 2 | 3 | 1 | 26 | 229.388 | 8 | ↓ |