In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 15th, 2009 | 20 | Yes |
Popular Name: (2S)-2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-(m-tolyl)ethanamine (2S)-2-[(4aR,8aS)-3,4,4a,5,6,7,8…
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) | 3.33 | 6.23 | -45.13 | 3 | 2 | 1 | 31 | 273.444 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.33 | 8.21 | -27.87 | 3 | 2 | 1 | 30 | 273.444 | 3 | ↓ |