| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 3rd, 2004 | 17 | No |
Popular Name: 4-[(E)-(2-bromo-5-hydroxy-benzylidene)amino]-3-methyl-1H-1,2,4-triazole-5-thione 4-[(E)-(2-bromo-5-hydroxy-benzyl…
| 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) | 1.23 | 4.92 | -9.82 | 2 | 5 | 0 | 66 | 313.18 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.95 | 6.54 | -92.71 | 0 | 5 | -2 | 66 | 311.164 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.95 | 5.78 | -50.36 | 1 | 5 | -1 | 63 | 312.172 | 2 | ↓ |
