In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 21 | Yes |
Popular Name: (1S,2R,4R)-2-[(2R)-2-ethylpyrrolidin-1-yl]-N-methyl-4-phenyl-cyclohexanamine (1S,2R,4R)-2-[(2R)-2-ethylpyrrol…
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) | 4.11 | 10.97 | -107.79 | 3 | 2 | 2 | 21 | 288.479 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.11 | 9.92 | -30.83 | 2 | 2 | 1 | 16 | 287.471 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.11 | 9.33 | -37.55 | 2 | 2 | 1 | 20 | 287.471 | 4 | ↓ |