In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 16 | Yes |
Popular Name: (1S,2S)-N-ethyl-2-[(3S)-3-methylpyrrolidin-1-yl]cycloheptanamine (1S,2S)-N-ethyl-2-[(3S)-3-methyl…
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) | 3.27 | 7.79 | -26.74 | 2 | 2 | 1 | 16 | 225.4 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.27 | 6.38 | -30.54 | 2 | 2 | 1 | 20 | 225.4 | 3 | ↓ |