In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2009 | 23 | Yes |
Popular Name: 2-(2-methoxyethyl)-5-methyl-6-(piperazine-1-carbonyl)-3H-thieno[2,3-d]pyrimidin-4-one 2-(2-methoxyethyl)-5-methyl-6-(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) | 0.36 | 2.9 | -56.35 | 3 | 7 | 1 | 92 | 337.425 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.82 | -0.65 | -44.42 | 1 | 7 | -1 | 90 | 335.409 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.36 | 1.65 | -13.68 | 2 | 7 | 0 | 87 | 336.417 | 4 | ↓ |