In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 28th, 2004 | 23 | Yes |
Popular Name: 2-[[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]pyridine 2-[[[4-ethyl-5-(4-methoxyphenyl)…
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) | 3.35 | 0.77 | -12.76 | 0 | 5 | 0 | 52 | 326.425 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.35 | 0.84 | -39.14 | 1 | 5 | 1 | 54 | 327.433 | 6 | ↓ |