| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 21 | Yes |
Popular Name: 1-(4-methyl-7-methylsulfanyl-2-quinolyl)-1,4-diazepan-5-one 1-(4-methyl-7-methylsulfanyl-2-q…
| 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) | 2.71 | 6.82 | -14.9 | 1 | 4 | 0 | 45 | 301.415 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.71 | 6.83 | -34.37 | 2 | 4 | 1 | 46 | 302.423 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
