In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 11th, 2010 | 24 | Yes |
Popular Name: 2-[4-(2-ethylsulfanylpyridine-3-carbonyl)piperazin-1-yl]-N-isopropyl-acetamide 2-[4-(2-ethylsulfanylpyridine-3-…
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) | 1.10 | 4.4 | -16.39 | 1 | 6 | 0 | 66 | 350.488 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.10 | 6.55 | -49.77 | 2 | 6 | 1 | 67 | 351.496 | 6 | ↓ |