In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 17th, 2009 | 30 | Yes |
Popular Name: 1-[4-[(E)-cinnamyl]piperazin-1-yl]-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanone 1-[4-[(E)-cinnamyl]piperazin-1-y…
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) | 4.41 | 11.62 | -11.82 | 0 | 5 | 0 | 49 | 438.622 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.41 | 13.86 | -53.62 | 1 | 5 | 1 | 51 | 439.63 | 7 | ↓ |