| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2011 | 24 | Yes |
Popular Name: 6-bromo-3-[(3S)-3-(ethoxymethyl)piperidine-1-carbonyl]-1H-quinolin-2-one 6-bromo-3-[(3S)-3-(ethoxymethyl)…
| 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) | 1.97 | 6.91 | -19.06 | 1 | 5 | 0 | 62 | 393.281 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.88 | 5.1 | -62.12 | 0 | 5 | -1 | 65 | 392.273 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
