| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 7th, 2010 | 22 | No |
Popular Name: N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[(6R)-5-oxo-3-thioxo-6H-1,2,4-triazin-6-yl]propanamide N-[(1S)-1-(4-fluorophenyl)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) | 1.31 | 3.39 | -13.83 | 2 | 6 | 0 | 83 | 322.365 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.50 | 1.47 | -42.45 | 1 | 6 | -1 | 89 | 321.357 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
