In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 28th, 2008 | 26 | Yes |
Popular Name: N-(2,6-dimethylphenyl)-2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]acetamide N-(2,6-dimethylphenyl)-2-[4-(2-o…
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) | 1.02 | 7.66 | -44.05 | 2 | 6 | 1 | 57 | 359.494 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.02 | 7.66 | -48.59 | 2 | 6 | 1 | 57 | 359.494 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.02 | 5.43 | -16.58 | 1 | 6 | 0 | 56 | 358.486 | 5 | ↓ |