In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2011 | 22 | Yes |
Popular Name: N-(1-ethyl-4-piperidyl)-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]acetamide N-(1-ethyl-4-piperidyl)-2-[4-[(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) | 0.37 | 0.67 | -40.47 | 3 | 6 | 1 | 60 | 313.466 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.37 | 2.96 | -77.54 | 4 | 6 | 2 | 61 | 314.474 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.