In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 15th, 2011 | 21 | Yes |
Popular Name: 4-ethyl-1-[2-oxo-2-(2-thienylmethylamino)ethyl]piperidine-4-carboxylic 4-ethyl-1-[2-oxo-2-(2-thienylmet…
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) | 1.84 | 7.33 | -64.18 | 2 | 5 | 0 | 74 | 310.419 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.84 | 5.16 | -54.75 | 1 | 5 | -1 | 72 | 309.411 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.