In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 5th, 2008 | 22 | No |
Popular Name: 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2-nitro-3-pyridyl)oxy]ethanone 1-(6,7-dihydro-4H-thieno[3,2-c]p…
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) | 1.62 | 9.05 | -30.9 | 0 | 7 | 0 | 88 | 319.342 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.62 | 9.32 | -64.66 | 1 | 7 | 1 | 90 | 320.35 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.