| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2011 | 16 | Yes |
Popular Name: (3S)-1-[(2,5-dimethylphenyl)methyl]-3-methyl-piperazine (3S)-1-[(2,5-dimethylphenyl)meth…
| 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) | 2.54 | 5.5 | -36.13 | 2 | 2 | 1 | 20 | 219.352 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.54 | 4.22 | -2.32 | 1 | 2 | 0 | 15 | 218.344 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
