In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 6th, 2009 | 20 | No |
Popular Name: 5-(2-furyl)-4-methyl-2-[[(2S)-2-methylmorpholin-4-yl]methyl]-1,2,4-triazole-3-thione 5-(2-furyl)-4-methyl-2-[[(2S)-2-…
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) | 1.00 | 5.69 | -11.63 | 0 | 6 | 0 | 48 | 294.38 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.00 | 8.1 | -37.92 | 1 | 6 | 1 | 50 | 295.388 | 3 | ↓ |