| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 17th, 2010 | 21 | Yes |
Popular Name: 4-[5-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-3-thienyl]but-3-yn-1-ol 4-[5-[[cyclohexyl(2-hydroxyethyl…
| 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) | 2.68 | 5.38 | -35.6 | 3 | 3 | 1 | 45 | 308.467 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.68 | 3.19 | -7.02 | 2 | 3 | 0 | 44 | 307.459 | 6 | ↓ |
