| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 23rd, 2006 | 23 | Yes |
Popular Name: 6-[(4-fluorophenyl)methyl]-3-(3-pyridylmethylamino)-4H-1,2,4-triazin-5-one 6-[(4-fluorophenyl)methyl]-3-(3-…
| 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) | 2.31 | 5.05 | -40.45 | 1 | 6 | -1 | 87 | 310.312 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.85 | 6.52 | -13.83 | 2 | 6 | 0 | 84 | 311.32 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.85 | 6.99 | -48.66 | 3 | 6 | 1 | 85 | 312.328 | 5 | ↓ |
