In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 20 | Yes |
Popular Name: (1R)-N-ethyl-2-[(2S)-2-ethylpyrrolidin-1-yl]-1-(4-methoxyphenyl)ethanamine (1R)-N-ethyl-2-[(2S)-2-ethylpyrr…
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) | 3.41 | 9.02 | -113.49 | 3 | 3 | 2 | 30 | 278.44 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.41 | 9.18 | -32.57 | 2 | 3 | 1 | 26 | 277.432 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.41 | 7.19 | -40.49 | 2 | 3 | 1 | 29 | 277.432 | 7 | ↓ |