In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 11th, 2010 | 21 | Yes |
Popular Name: [4-(2-hydroxyethyl)piperazin-1-yl]-(2-propylsulfanyl-3-pyridyl)methanone [4-(2-hydroxyethyl)piperazin-1-y…
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) | 0.69 | 2.45 | -12.05 | 1 | 5 | 0 | 57 | 309.435 | 6 | ↓ |
Lo Low (pH 4.5-6) | 0.69 | 4.74 | -43.61 | 2 | 5 | 1 | 58 | 310.443 | 6 | ↓ |