In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 20 | Yes |
Popular Name: (1S)-N-ethyl-2-[(3S)-3-methylpyrrolidin-1-yl]-1-(4-propylphenyl)ethanamine (1S)-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 | 11.09 | -112.67 | 3 | 2 | 2 | 21 | 276.468 | 7 | ↓ |
Hi High (pH 8-9.5) | 4.27 | 8.7 | -37.32 | 2 | 2 | 1 | 20 | 275.46 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.27 | 10 | -35.18 | 2 | 2 | 1 | 16 | 275.46 | 7 | ↓ |