| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 4th, 2011 | 19 | Yes |
Popular Name: (2S)-2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-pyrimidin-4-yl-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) | 1.22 | 5.07 | -52.36 | 3 | 4 | 1 | 57 | 261.393 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.22 | 4.85 | -4.25 | 2 | 4 | 0 | 55 | 260.385 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
