| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 10th, 2009 | 21 | Yes |
Popular Name: (S)-(3,5-dimethylbenzofuran-2-yl)-(3-methoxyphenyl)methanamine (S)-(3,5-dimethylbenzofuran-2-yl…
| 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) | 4.30 | 7.34 | -45.78 | 3 | 3 | 1 | 50 | 282.363 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.30 | 7 | -7.7 | 2 | 3 | 0 | 48 | 281.355 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
