In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 19th, 2011 | 21 | Yes |
Popular Name: (2S,6R)-2,6-dimethyl-1-[[(2R,4R)-2-methyl-2-phenyl-1,3-dioxolan-4-yl]methyl]piperazine (2S,6R)-2,6-dimethyl-1-[[(2R,4R)…
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) | 2.13 | 5.23 | -39.39 | 2 | 4 | 1 | 38 | 291.415 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.13 | 3.9 | -4.4 | 1 | 4 | 0 | 34 | 290.407 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.