In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 30th, 2010 | 16 | Yes |
Popular Name: (3S)-N-ethyl-1-[(1R,2S)-2-ethylcyclohexyl]pyrrolidin-3-amine (3S)-N-ethyl-1-[(1R,2S)-2-ethylc…
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 | 6.86 | -30.78 | 2 | 2 | 1 | 16 | 225.4 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.27 | 7.99 | -108.75 | 3 | 2 | 2 | 21 | 226.408 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.27 | 5.92 | -35.69 | 2 | 2 | 1 | 20 | 225.4 | 4 | ↓ |