In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 19 | Yes |
Popular Name: (1R)-1-[(3S)-1-ethyl-3-piperidyl]-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]ethanamine (1R)-1-[(3S)-1-ethyl-3-piperidyl…
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) | 2.40 | 7.89 | -75.35 | 3 | 3 | 2 | 21 | 269.477 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.40 | 6.63 | -100.62 | 3 | 3 | 2 | 24 | 269.477 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.40 | 8.97 | -185.08 | 4 | 3 | 3 | 25 | 270.485 | 6 | ↓ |