In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 19th, 2011 | 25 | Yes |
Popular Name: 6-ethoxy-3-[[(1R,6S)-4-methyl-4,9-diazabicyclo[4.2.1]nonan-9-yl]methyl]-1H-quinolin-2-one 6-ethoxy-3-[[(1R,6S)-4-methyl-4,…
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) | 1.84 | 6.96 | -30.96 | 2 | 5 | 1 | 50 | 342.463 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.84 | 7.48 | -33.29 | 2 | 5 | 1 | 50 | 342.463 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.