In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 11th, 2011 | 27 | Yes |
Popular Name: 1-[3-(3-cyano-2-methoxy-5-oxo-1,6-naphthyridin-6-yl)propyl]piperidine-4-carboxamide 1-[3-(3-cyano-2-methoxy-5-oxo-1,…
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) | 0.45 | 4.21 | -61.67 | 3 | 8 | 1 | 115 | 370.433 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.45 | 1.99 | -19.76 | 2 | 8 | 0 | 114 | 369.425 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.