| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 21st, 2011 | 20 | Yes |
Popular Name: (2S)-N-methyl-1-[(4S)-1,2,3,4-tetrahydroisoquinolin-4-yl]piperidine-2-carboxamide (2S)-N-methyl-1-[(4S)-1,2,3,4-te…
| 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) | 1.30 | 3.93 | -31.98 | 3 | 4 | 1 | 46 | 274.388 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.30 | 2.26 | -10 | 2 | 4 | 0 | 44 | 273.38 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.30 | 3.61 | -49.76 | 3 | 4 | 1 | 49 | 274.388 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
