| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2011 | 21 | Yes |
Popular Name: 3-[(R)-ethylamino(1-isoquinolyl)methyl]pyridin-4-amine 3-[(R)-ethylamino(1-isoquinolyl)…
| 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) | 2.18 | 5.91 | -92.94 | 5 | 4 | 2 | 70 | 280.375 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.18 | 4.17 | -8.34 | 3 | 4 | 0 | 64 | 278.359 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.18 | 4.64 | -29.12 | 4 | 4 | 1 | 65 | 279.367 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
