| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 8th, 2011 | 17 | Yes |
Popular Name: (4S)-N-[[(2S)-1,4-dioxan-2-yl]methyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[[(2S)-1,4-dioxan-2-yl]me…
| 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) | 0.82 | 5.26 | -39.24 | 2 | 3 | 1 | 35 | 254.375 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.82 | 4.06 | -4.63 | 1 | 3 | 0 | 30 | 253.367 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
