In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 21 | Yes |
Popular Name: (1R,2S,4R)-N-ethyl-2-[(2S)-2-methylpyrrolidin-1-yl]-4-phenyl-cyclohexanamine (1R,2S,4R)-N-ethyl-2-[(2S)-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) | 3.95 | 11.48 | -21.28 | 3 | 2 | 0 | 21 | 288.479 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.95 | 8.43 | -79 | 2 | 2 | 0 | 20 | 287.471 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.95 | 11.6 | -30.65 | 2 | 2 | 1 | 16 | 287.471 | 4 | ↓ |