In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 24th, 2009 | 18 | Yes |
Popular Name: 1-[2-[(2S,6R)-2,6-dimethyl-1-piperidyl]acetyl]piperidin-4-one 1-[2-[(2S,6R)-2,6-dimethyl-1-pip…
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) | 0.83 | 6.85 | -40.96 | 1 | 4 | 1 | 42 | 253.366 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.83 | 4.71 | -8.96 | 0 | 4 | 0 | 41 | 252.358 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.