In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 22nd, 2010 | 16 | No |
Popular Name: 3-chloro-1-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2-dimethyl-propan-1-one 3-chloro-1-[4-(2-hydroxyethyl)pi…
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 | 0.52 | -7.27 | 1 | 4 | 0 | 44 | 248.754 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.69 | 2.85 | -42.64 | 2 | 4 | 1 | 45 | 249.762 | 4 | ↓ |