In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2009 | 31 | Yes |
Popular Name: 1-[4-[(E)-cinnamyl]piperazin-1-yl]-3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-one 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) | 3.94 | 11.12 | -16.92 | 1 | 6 | 0 | 61 | 435.597 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.94 | 13.36 | -59.83 | 2 | 6 | 1 | 63 | 436.605 | 8 | ↓ |