In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 11th, 2010 | 26 | Yes |
Popular Name: 2-[4-(2-propylsulfanylpyridine-3-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-yl-ethanone 2-[4-(2-propylsulfanylpyridine-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) | 1.08 | 6.76 | -16.73 | 0 | 6 | 0 | 57 | 376.526 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.08 | 8.91 | -49.28 | 1 | 6 | 1 | 58 | 377.534 | 6 | ↓ |