| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 4th, 2011 | 21 | Yes |
Popular Name: N-[(S)-5-isoquinolyl(pyrimidin-4-yl)methyl]propan-1-amine 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) | 2.53 | 8.21 | -42.83 | 2 | 4 | 1 | 55 | 279.367 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.53 | 7.4 | -7.39 | 1 | 4 | 0 | 51 | 278.359 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.53 | 8.68 | -95.57 | 3 | 4 | 2 | 57 | 280.375 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
