| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2011 | 18 | Yes |
Popular Name: 6-[(2S)-2-[2-(methylamino)ethyl]-1-piperidyl]-2H-1,2,4-triazine-3,5-dione 6-[(2S)-2-[2-(methylamino)ethyl]…
| 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) | -0.04 | 1.54 | -45.82 | 4 | 7 | 1 | 98 | 254.314 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.42 | -0.16 | -49.64 | 3 | 7 | 0 | 102 | 253.306 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
