| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 17th, 2010 | 21 | Yes |
Popular Name: 4-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-thienyl]but-3-yn-1-ol 4-[5-(3,4-dihydro-1H-isoquinolin…
| 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) | 2.80 | 6.88 | -6.89 | 1 | 2 | 0 | 23 | 297.423 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.80 | 9.16 | -42.23 | 2 | 2 | 1 | 25 | 298.431 | 3 | ↓ |
