| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2010 | 21 | Yes |
Popular Name: N-[[3-(aminomethyl)benzofuran-2-yl]methyl]-1-(4-bromo-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) | 3.45 | 5.73 | -53.93 | 3 | 3 | 1 | 44 | 366.304 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.45 | 5.33 | -7.64 | 2 | 3 | 0 | 42 | 365.296 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.45 | 8.06 | -128.23 | 4 | 3 | 2 | 45 | 367.312 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
