| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 22nd, 2011 | 27 | Yes |
Popular Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole 3-[(2,5-dimethylphenyl)methylsul…
| 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) | 4.38 | 15.34 | -35.3 | 1 | 4 | 1 | 35 | 379.553 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.38 | 13.01 | -9.58 | 0 | 4 | 0 | 34 | 378.545 | 6 | ↓ |
