| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 15th, 2011 | 25 | Yes |
Popular Name: (4S)-4-[4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one (4S)-4-[4-(2,2,2-trifluoroethyl)…
| 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) | 1.61 | 5.85 | -13.69 | 1 | 5 | 0 | 53 | 355.36 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.61 | 7.14 | -55.6 | 2 | 5 | 1 | 54 | 356.368 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
