| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2010 | 21 | Yes |
Popular Name: N-[(1S)-1-[5-(5-isoquinolyl)-2-furyl]ethyl]propan-1-amine N-[(1S)-1-[5-(5-isoquinolyl)-2-f…
| 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) | 4.17 | 8.91 | -40.07 | 2 | 3 | 1 | 43 | 281.379 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 4.17 | 9.38 | -84.39 | 3 | 3 | 2 | 44 | 282.387 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
