| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 12th, 2010 | 18 | Yes |
Popular Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine 2-[(4-allyl-5-phenyl-1,2,4-triaz…
| 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) | 1.94 | 6.78 | -51.14 | 3 | 4 | 1 | 58 | 261.374 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.94 | 6.38 | -10.62 | 2 | 4 | 0 | 57 | 260.366 | 6 | ↓ |
