In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 30th, 2011 | 16 | Yes |
Popular Name: 1-[(2R,3S)-1-ethyl-2-(2-thienyl)-3-piperidyl]-N-methyl-methanamine 1-[(2R,3S)-1-ethyl-2-(2-thienyl)…
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) | 2.76 | 5.49 | -37.94 | 2 | 2 | 1 | 20 | 239.408 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.76 | 7.66 | -93.49 | 3 | 2 | 2 | 21 | 240.416 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.