In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 20 | Yes |
Popular Name: (1R)-N-ethyl-2-[(3S)-3-methylpyrrolidin-1-yl]-1-(4-propylphenyl)ethanamine (1R)-N-ethyl-2-[(3S)-3-methylpyr…
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) | 4.27 | 11.4 | -117.82 | 3 | 2 | 2 | 21 | 276.468 | 7 | ↓ |
Hi High (pH 8-9.5) | 4.27 | 9.25 | -32.24 | 2 | 2 | 1 | 20 | 275.46 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.27 | 10.38 | -31.18 | 2 | 2 | 1 | 16 | 275.46 | 7 | ↓ |