| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2010 | 21 | Yes |
Popular Name: N-[[3-(aminomethyl)benzofuran-2-yl]methyl]-1-(5-chloro-2-thienyl)-N-methyl-methanamine N-[[3-(aminomethyl)benzofuran-2-…
| 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) | 3.52 | 8.07 | -128.39 | 4 | 3 | 2 | 45 | 322.861 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.52 | 5.34 | -6.4 | 2 | 3 | 0 | 42 | 320.845 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.52 | 5.74 | -53.23 | 3 | 3 | 1 | 44 | 321.853 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
