In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2009 | 30 | Yes |
Popular Name: 2-[(4-acetylpiperazin-1-yl)methyl]-5-(3,4-dimethoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one 2-[(4-acetylpiperazin-1-yl)methy…
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) | 1.28 | 5.81 | -19.78 | 1 | 8 | 0 | 88 | 428.514 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.28 | 8.05 | -68.12 | 2 | 8 | 1 | 89 | 429.522 | 5 | ↓ |