In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 13th, 2009 | 30 | Yes |
Popular Name: N-[3-(4-ethylpiperazin-1-yl)-3-oxo-propyl]-N-(3-morpholinopropyl)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) | -0.06 | 3.89 | -11.62 | 0 | 9 | 0 | 82 | 418.542 | 9 | ↓ |
Mid Mid (pH 6-8) | -0.06 | 6.15 | -42.71 | 1 | 9 | 1 | 83 | 419.55 | 9 | ↓ |
Mid Mid (pH 6-8) | -0.06 | 6.1 | -51.44 | 1 | 9 | 1 | 83 | 419.55 | 9 | ↓ |
Mid Mid (pH 6-8) | -0.06 | 8.37 | -92.28 | 2 | 9 | 2 | 85 | 420.558 | 9 | ↓ |