| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 4th, 2011 | 18 | Yes |
Popular Name: 2-(pyrimidin-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-5-amine 2-(pyrimidin-4-ylmethyl)-3,4-dih…
| 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) | 0.88 | 4.34 | -7.72 | 2 | 4 | 0 | 55 | 240.31 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.88 | 6.68 | -42.08 | 3 | 4 | 1 | 56 | 241.318 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
