| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 15th, 2011 | 16 | Yes |
Popular Name: (1R)-2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-cyclopropyl-ethanamine (1R)-2-[(4aS,8aR)-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) | 2.25 | 7.37 | -119.92 | 4 | 2 | 2 | 32 | 224.392 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.25 | 5.54 | -38.08 | 3 | 2 | 1 | 31 | 223.384 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.25 | 7.05 | -31.32 | 3 | 2 | 1 | 30 | 223.384 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
