| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 17th, 2010 | 19 | Yes |
Popular Name: 4-[5-[[isobutyl(isopropyl)amino]methyl]-3-thienyl]but-3-yn-1-ol 4-[5-[[isobutyl(isopropyl)amino]…
| 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) | 3.20 | 8.21 | -33.92 | 2 | 2 | 1 | 25 | 280.457 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.20 | 6.6 | -4.32 | 1 | 2 | 0 | 23 | 279.449 | 6 | ↓ |
