In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 16th, 2010 | 22 | Yes |
Popular Name: 3-methyl-1-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]butan-1-one 3-methyl-1-[4-[2-(3-methylphenox…
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) | 3.31 | 7.5 | -9.26 | 0 | 4 | 0 | 33 | 304.434 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.31 | 9.7 | -45.18 | 1 | 4 | 1 | 34 | 305.442 | 6 | ↓ |