In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2010 | 15 | No |
Popular Name: 5-[(2,5-dimethylphenyl)methyl]-4H-1,2,4-triazole-3-thiol 5-[(2,5-dimethylphenyl)methyl]-4…
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) | 3.00 | 7.33 | -42.7 | 1 | 3 | -1 | 42 | 218.305 | 2 | ↓ |
Mid Mid (pH 6-8) | 3.00 | 7.33 | -26.73 | 2 | 3 | 0 | 43 | 219.313 | 2 | ↓ |