In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 2nd, 2011 | 25 | Yes |
Popular Name: (2S)-N-ethyl-N-phenyl-2-[4-(2-pyridyl)piperazin-1-yl]propanamide (2S)-N-ethyl-N-phenyl-2-[4-(2-py…
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) | 2.79 | 8.82 | -32.45 | 1 | 5 | 1 | 41 | 339.463 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.79 | 8.48 | -10.13 | 0 | 5 | 0 | 40 | 338.455 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.