| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2004 | 26 | No |
Popular Name: 2-[(E)-[3-[(4-chlorobenzyl)thio]-5-propyl-1,2,4-triazol-4-yl]iminiomethyl]phenolate 2-[(E)-[3-[(4-chlorobenzyl)thio]…
| 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) | 5.19 | 11.6 | -11.73 | 1 | 5 | 0 | 63 | 386.908 | 7 | ↓ |
| Hi High (pH 8-9.5) | 5.19 | 12.37 | -45.42 | 0 | 5 | -1 | 66 | 385.9 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 5.19 | 11.92 | -37.62 | 2 | 5 | 1 | 65 | 387.916 | 7 | ↓ |
