In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 20 | Yes |
Popular Name: (4-ethyl-1-piperidyl)-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone (4-ethyl-1-piperidyl)-[(3S)-1,2,…
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) | 2.66 | 6.7 | -7.69 | 1 | 3 | 0 | 32 | 272.392 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.66 | 8.02 | -38.88 | 2 | 3 | 1 | 37 | 273.4 | 2 | ↓ |