In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 14th, 2010 | 16 | Yes |
Popular Name: 1-[(2R)-1-[(2S)-2-ethylhexyl]pyrrolidin-2-yl]-N-methyl-methanamine 1-[(2R)-1-[(2S)-2-ethylhexyl]pyr…
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) | 3.71 | 7.78 | -108.41 | 3 | 2 | 2 | 21 | 228.424 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.71 | 5.53 | -38.55 | 2 | 2 | 1 | 20 | 227.416 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.71 | 7.51 | -28.5 | 2 | 2 | 1 | 16 | 227.416 | 8 | ↓ |