In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 15th, 2010 | 19 | No |
Popular Name: 5-(4-pyridyl)-4-[2-[(2S)-tetrahydrofuran-2-yl]ethyl]-1,2,4-triazole-3-thiol 5-(4-pyridyl)-4-[2-[(2S)-tetrahy…
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) | 1.65 | 6.93 | -43.55 | 0 | 5 | -1 | 53 | 275.357 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.92 | 6.91 | -8.86 | 1 | 5 | 0 | 56 | 276.365 | 4 | ↓ |