In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 4th, 2008 | 29 | Yes |
Popular Name: 7-[(1S)-1-acetylheptyl]-5-methyl-2-(p-tolylmethyl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one 7-[(1S)-1-acetylheptyl]-5-methyl…
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) | 4.43 | 12.42 | -13.79 | 1 | 6 | 0 | 80 | 394.519 | 9 | ↓ |
Mid Mid (pH 6-8) | 4.43 | 12.81 | -30.52 | 2 | 6 | 1 | 81 | 395.527 | 9 | ↓ |