In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 7th, 2009 | 29 | Yes |
Popular Name: N-[3-(4-ethylpiperazin-1-yl)-3-oxo-propyl]-N-(2-morpholinoethyl)pyrazine-2-carboxamide N-[3-(4-ethylpiperazin-1-yl)-3-o…
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) | -0.33 | 3.12 | -11.21 | 0 | 9 | 0 | 82 | 404.515 | 8 | ↓ |
Mid Mid (pH 6-8) | -0.33 | 5.35 | -51.14 | 1 | 9 | 1 | 83 | 405.523 | 8 | ↓ |
Mid Mid (pH 6-8) | -0.33 | 5.39 | -43.08 | 1 | 9 | 1 | 83 | 405.523 | 8 | ↓ |
Lo Low (pH 4.5-6) | -0.33 | 7.6 | -94.15 | 2 | 9 | 2 | 85 | 406.531 | 8 | ↓ |