| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 27th, 2011 | 19 | Yes |
Popular Name: [4-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-methyl-phenyl]methanamine [4-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-…
| 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) | 3.77 | 7.29 | -43.44 | 3 | 2 | 1 | 31 | 259.417 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.77 | 6.88 | -1.49 | 2 | 2 | 0 | 29 | 258.409 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 3.77 | 8.32 | -88.64 | 4 | 2 | 2 | 32 | 260.425 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
