| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 25th, 2004 | 37 | Yes |
Popular Name: N-[3-[4-[(E)-cinnamyl]piperazino]-3-keto-propyl]-5-methyl-N-(2-morpholinoethyl)pyrazinamide N-[3-[4-[(E)-cinnamyl]piperazino…
| 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) | 1.87 | 8.13 | -14.63 | 0 | 9 | 0 | 82 | 506.651 | 10 | ↓ |
| Mid Mid (pH 6-8) | 1.87 | 10.42 | -55.74 | 1 | 9 | 1 | 83 | 507.659 | 10 | ↓ |
| Mid Mid (pH 6-8) | 1.87 | 10.46 | -56.04 | 1 | 9 | 1 | 83 | 507.659 | 10 | ↓ |
| Lo Low (pH 4.5-6) | 1.87 | 12.76 | -111.33 | 2 | 9 | 2 | 85 | 508.667 | 10 | ↓ |
