| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 4th, 2011 | 20 | Yes |
Popular Name: N-[(S)-5-isoquinolyl(pyrimidin-4-yl)methyl]ethanamine N-[(S)-5-isoquinolyl(pyrimidin-4…
| 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) | 2.03 | 7.11 | -41.46 | 2 | 4 | 1 | 55 | 265.34 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.03 | 6.69 | -7.55 | 1 | 4 | 0 | 51 | 264.332 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.03 | 7.58 | -93.97 | 3 | 4 | 2 | 57 | 266.348 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
