In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 24th, 2009 | 20 | Yes |
Popular Name: 3-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methoxy]benzonitrile 3-[(4-oxo-3H-thieno[3,2-d]pyrimi…
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) | 2.23 | 5.61 | -18.6 | 1 | 5 | 0 | 79 | 283.312 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.69 | 3.24 | -52.38 | 0 | 5 | -1 | 82 | 282.304 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.