In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 10th, 2010 | 28 | Yes |
Popular Name: N,N-dimethyl-4-[(3R)-3-[4-(o-tolyl)piperazin-1-yl]-1-piperidyl]-4-oxo-butanamide N,N-dimethyl-4-[(3R)-3-[4-(o-tol…
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) | 1.52 | 8.77 | -9.47 | 0 | 6 | 0 | 47 | 386.54 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.52 | 8.81 | -36.07 | 1 | 6 | 1 | 48 | 387.548 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.