| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 23rd, 2006 | 25 | Yes |
Popular Name: 6-[(4-isopropylphenyl)methyl]-3-(3-pyridylmethylamino)-4H-1,2,4-triazin-5-one 6-[(4-isopropylphenyl)methyl]-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) | 3.65 | 6.91 | -44.11 | 1 | 6 | -1 | 87 | 334.403 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.20 | 8.38 | -13.16 | 2 | 6 | 0 | 84 | 335.411 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.20 | 8.85 | -47.58 | 3 | 6 | 1 | 85 | 336.419 | 6 | ↓ |
