| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 2nd, 2011 | 28 | No |
Popular Name: (2S)-N-ethyl-1-(4-methoxyphenyl)-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]propan-2-amine (2S)-N-ethyl-1-(4-methoxyphenyl)…
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| 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) | 3.98 | 9.24 | -9.06 | 0 | 7 | 0 | 77 | 386.448 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.98 | 10.93 | -41.65 | 1 | 7 | 1 | 78 | 387.456 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
