| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 17th, 2010 | 19 | Yes |
Popular Name: 3-[[4-(3-hydroxyprop-1-ynyl)-2-thienyl]methyl-isobutyl-amino]propanenitrile 3-[[4-(3-hydroxyprop-1-ynyl)-2-t…
| 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) | 1.72 | 6.02 | -11.2 | 1 | 3 | 0 | 47 | 276.405 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.72 | 7.47 | -52.01 | 2 | 3 | 1 | 48 | 277.413 | 6 | ↓ |
