| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 6th, 2011 | 17 | No |
Popular Name: 4-bromo-2-[(Z)-[(5-sulfanyl-1H-1,2,4-triazol-3-yl)hydrazono]methyl]phenol 4-bromo-2-[(Z)-[(5-sulfanyl-1H-1…
| 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) | 2.44 | 5.17 | -48.11 | 3 | 6 | -1 | 86 | 313.16 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.44 | 5.93 | -82.67 | 2 | 6 | -2 | 89 | 312.152 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.72 | 5.22 | -13.22 | 4 | 6 | 0 | 89 | 314.168 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
