| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 17 | Yes |
Popular Name: (1S)-N-[[(2S)-1,4-dioxan-2-yl]methyl]-1-(5-ethyl-2-thienyl)ethanamine (1S)-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) | 2.38 | 5.8 | -36.77 | 2 | 3 | 1 | 35 | 256.391 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.38 | 4.61 | -4.28 | 1 | 3 | 0 | 30 | 255.383 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
