| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 23rd, 2008 | 26 | Yes |
Popular Name: 6-[(4-isopropylphenyl)methyl]-3-(2-morpholinoethylamino)-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) | 2.91 | 5.35 | -17.52 | 2 | 7 | 0 | 83 | 357.458 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.37 | 5.23 | -42.45 | 1 | 7 | -1 | 86 | 356.45 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.91 | 7.67 | -66.06 | 3 | 7 | 1 | 84 | 358.466 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.37 | 6.43 | -59.05 | 2 | 7 | 0 | 87 | 357.458 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
