In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 24th, 2009 | 19 | Yes |
Popular Name: 2-[(2-pyridylmethylamino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[(2-pyridylmethylamino)methyl]…
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) | 0.64 | 2.78 | -15.17 | 2 | 5 | 0 | 71 | 272.333 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.09 | 0.15 | -51.63 | 1 | 5 | -1 | 74 | 271.325 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.64 | 4.15 | -56.57 | 3 | 5 | 1 | 75 | 273.341 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.