| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 21 | No |
Popular Name: 4-[5-(4-methyl-2-nitrophenyl)-4H-1,2,4-triazol-3-yl]pyridine 4-[5-(4-methyl-2-nitrophenyl)-4H…
| 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) | 2.67 | 8.12 | -14.08 | 1 | 7 | 0 | 100 | 281.275 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.67 | 7.98 | -50.42 | 0 | 7 | -1 | 99 | 280.267 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.67 | 8.51 | -53.18 | 2 | 7 | 1 | 102 | 282.283 | 3 | ↓ |
