In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 1st, 2006 | 16 | No |
Popular Name: 4-bromo-2-[(3-sulfanyl-1,2,4-triazol-4-yl)iminomethyl]phenol 4-bromo-2-[(3-sulfanyl-1,2,4-tri…
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) | 1.61 | 5.47 | -17.6 | 2 | 5 | 0 | 66 | 299.153 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.33 | 6.32 | -111.5 | 0 | 5 | -2 | 66 | 297.137 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.33 | 5.55 | -49.15 | 1 | 5 | -1 | 63 | 298.145 | 2 | ↓ |