In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 8th, 2011 | 22 | Yes |
Popular Name: (2R)-2-[4-(2-amino-2-oxo-ethyl)-1-piperidyl]-N-[2-(2-thienyl)ethyl]propanamide (2R)-2-[4-(2-amino-2-oxo-ethyl)-…
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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) | 1.44 | 4.59 | -39.77 | 4 | 5 | 1 | 77 | 324.47 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.44 | 2.37 | -16.08 | 3 | 5 | 0 | 75 | 323.462 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.