In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 31st, 2009 | 32 | Yes |
Popular Name: 5-[(2-butyl-5-pentyl-1,2,4-triazol-3-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine 5-[(2-butyl-5-pentyl-1,2,4-triaz…
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) | 5.23 | 13.08 | -52.84 | 0 | 8 | -1 | 96 | 429.552 | 11 | ↓ |
Lo Low (pH 4.5-6) | 5.23 | 13.1 | -16.76 | 1 | 8 | 0 | 98 | 430.56 | 11 | ↓ |