In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 5th, 2011 | 22 | No |
Popular Name: (2R)-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]piperidine-2-carboxamide (2R)-1-[2-(3,4-dihydro-1H-isoqui…
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) | 1.27 | 5.74 | -40.45 | 3 | 5 | 1 | 68 | 302.398 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.27 | 3.75 | -16 | 2 | 5 | 0 | 67 | 301.39 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.