In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 11th, 2010 | 29 | Yes |
Popular Name: 6-[4-[(E)-cinnamyl]piperazin-1-yl]-N-(m-tolyl)pyrimidin-4-amine 6-[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) | 5.24 | 16.03 | -105.34 | 3 | 5 | 2 | 47 | 387.531 | 6 | ↓ |
Mid Mid (pH 6-8) | 5.24 | 15.66 | -47.18 | 2 | 5 | 1 | 45 | 386.523 | 6 | ↓ |
Mid Mid (pH 6-8) | 5.24 | 13.79 | -33.77 | 2 | 5 | 1 | 46 | 386.523 | 6 | ↓ |
Mid Mid (pH 6-8) | 5.24 | 13.4 | -8.03 | 1 | 5 | 0 | 44 | 385.515 | 6 | ↓ |