In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 3rd, 2004 | 20 | No |
Popular Name: 4-[(E)-(2-bromo-5-hydroxy-benzylidene)amino]-5-(trifluoromethyl)-1,2,4-triazole-3-thiolate 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) | 2.87 | 6.06 | -42.89 | 1 | 5 | -1 | 63 | 366.142 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.87 | 6.82 | -84.58 | 0 | 5 | -2 | 66 | 365.134 | 3 | ↓ |