In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 21 | Yes |
Popular Name: N,N-diethyl-4-[(2S)-piperidine-2-carbonyl]piperazine-1-carboxamide N,N-diethyl-4-[(2S)-piperidine-2…
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) | 0.88 | 5.37 | -43.23 | 2 | 6 | 1 | 60 | 297.423 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.88 | 4.35 | -11.72 | 1 | 6 | 0 | 56 | 296.415 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.