In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2011 | 27 | Yes |
Popular Name: (3S)-1-[(5,6,7-trimethoxy-2-oxo-1H-quinolin-3-yl)methyl]piperidine-3-carboxamide (3S)-1-[(5,6,7-trimethoxy-2-oxo-…
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) | 0.50 | 3.25 | -41.59 | 4 | 8 | 1 | 108 | 376.433 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.50 | 1.02 | -15.69 | 3 | 8 | 0 | 107 | 375.425 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.