| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2009 | 17 | Yes |
Popular Name: (3S,4S)-3-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]tetrahydropyran-4-amine (3S,4S)-3-[(4aS,8aS)-3,4,4a,5,6,…
| 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) | 1.48 | 3.29 | -44.88 | 3 | 3 | 1 | 40 | 239.383 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.48 | 3.35 | -1.39 | 2 | 3 | 0 | 38 | 238.375 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.48 | 4.96 | -114.32 | 4 | 3 | 2 | 41 | 240.391 | 1 | ↓ |
