In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 3rd, 2011 | 16 | Yes |
Popular Name: cyclohexyl-[(2S,5S)-2,5-dimethylpiperazin-1-yl]methanone cyclohexyl-[(2S,5S)-2,5-dimethyl…
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) | 2.26 | 5.86 | -46.13 | 2 | 3 | 1 | 37 | 225.356 | 1 | ↓ |
Mid Mid (pH 6-8) | 2.26 | 4.69 | -6.89 | 1 | 3 | 0 | 32 | 224.348 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.