| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 3rd, 2006 | 29 | No |
Popular Name: 2-benzylsulfanyl-7,7-dimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile 2-benzylsulfanyl-7,7-dimethyl-5-…
| 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) | 5.40 | 14.27 | -22.41 | 1 | 3 | 0 | 53 | 400.547 | 4 | ↓ |
| Mid Mid (pH 6-8) | 5.90 | 0.72 | -8.44 | 0 | 3 | 0 | 53 | 400.547 | 4 | ↓ |
| Mid Mid (pH 6-8) | 5.74 | 0.77 | -8.78 | 0 | 3 | 0 | 53 | 400.547 | 4 | ↓ |
