In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 18 | Yes |
Popular Name: (1R,2S,4R)-4-ethyl-2-[(3S)-3-methylpyrrolidin-1-yl]-N-propyl-cyclohexanamine (1R,2S,4R)-4-ethyl-2-[(3S)-3-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) | 3.96 | 10.02 | -111.97 | 3 | 2 | 2 | 21 | 254.462 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.96 | 8.06 | -34.28 | 2 | 2 | 1 | 20 | 253.454 | 5 | ↓ |