In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2008 | 19 | Yes |
Popular Name: (2R)-2-(3,4-dimethylphenoxy)-1-piperazin-1-yl-propan-1-one (2R)-2-(3,4-dimethylphenoxy)-1-p…
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) | 1.83 | 5.28 | -12.32 | 1 | 4 | 0 | 42 | 262.353 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.83 | 6.66 | -58.51 | 2 | 4 | 1 | 46 | 263.361 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.