In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 25th, 2011 | 25 | No |
Popular Name: N-carbamoyl-2-[(2S)-2-[2-(3,4-dimethoxyphenyl)ethyl]-1-piperidyl]acetamide N-carbamoyl-2-[(2S)-2-[2-(3,4-di…
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) | 2.09 | 5.85 | -57.81 | 4 | 7 | 1 | 95 | 350.439 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.09 | 4.43 | -22.04 | 3 | 7 | 0 | 94 | 349.431 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.