| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2009 | 21 | Yes |
Popular Name: (2S)-1-(4-ethylphenyl)-2-[(5-propyl-4H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one (2S)-1-(4-ethylphenyl)-2-[(5-pro…
| 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) | 3.90 | 9.78 | -13.16 | 1 | 4 | 0 | 59 | 303.431 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.90 | 9.69 | -42.35 | 0 | 4 | -1 | 57 | 302.423 | 7 | ↓ |
