| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 17th, 2010 | 17 | Yes |
Popular Name: 3-[ethyl-[[4-(3-hydroxyprop-1-ynyl)-2-thienyl]methyl]amino]propanenitrile 3-[ethyl-[[4-(3-hydroxyprop-1-yn…
| 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) | 0.97 | 3.78 | -11.26 | 1 | 3 | 0 | 47 | 248.351 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.97 | 6.21 | -54.79 | 2 | 3 | 1 | 48 | 249.359 | 5 | ↓ |
