In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 20 | Yes |
Popular Name: (1S)-2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-methyl-1-phenyl-ethanamine (1S)-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) | 3.88 | 10.64 | -120.86 | 3 | 2 | 2 | 21 | 274.452 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.88 | 9.51 | -30.23 | 2 | 2 | 1 | 16 | 273.444 | 4 | ↓ |