| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 9th, 2011 | 19 | Yes |
Popular Name: (4S)-N-[(E)-cinnamyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[(E)-cinnamyl]-4,5,6,7-te…
| 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) | 3.54 | 10.25 | -42.89 | 2 | 1 | 1 | 17 | 270.421 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.54 | 9.18 | -3.65 | 1 | 1 | 0 | 12 | 269.413 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
