In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 15th, 2011 | 20 | Yes |
Popular Name: 4-ethyl-1-[2-[(2S)-1-methyl-2-piperidyl]ethyl]piperidine-4-carboxylic 4-ethyl-1-[2-[(2S)-1-methyl-2-pi…
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) | 2.14 | 10.25 | -112.63 | 2 | 4 | 1 | 49 | 283.436 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.14 | 7.97 | -58.18 | 1 | 4 | 0 | 48 | 282.428 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.