| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 17th, 2010 | 20 | Yes |
Popular Name: 4-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-thienyl]but-3-yn-1-ol 4-[5-[[4-(2-hydroxyethyl)piperaz…
| 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) | 0.67 | 1.9 | -39.93 | 3 | 4 | 1 | 48 | 295.428 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.67 | 1.99 | -36.09 | 3 | 4 | 1 | 48 | 295.428 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.67 | -0.34 | -7.38 | 2 | 4 | 0 | 47 | 294.42 | 5 | ↓ |
