In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 20th, 2011 | 23 | Yes |
Popular Name: 3-[(4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4-fluoro-benzonitrile 3-[(4-ethoxy-7,8-dihydro-5H-pyri…
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) | 2.04 | 8.06 | -49.06 | 1 | 5 | 1 | 63 | 313.356 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.04 | 5.79 | -9.59 | 0 | 5 | 0 | 62 | 312.348 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.