| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 10th, 2009 | 21 | Yes |
Popular Name: 4-[(S)-amino-(3,5-dimethylbenzofuran-2-yl)methyl]benzonitrile 4-[(S)-amino-(3,5-dimethylbenzof…
| 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) | 4.02 | 8.43 | -56.31 | 3 | 3 | 1 | 65 | 277.347 | 2 | ↓ |
| Hi High (pH 8-9.5) | 4.02 | 8.1 | -8.83 | 2 | 3 | 0 | 63 | 276.339 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
