| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 1st, 2011 | 25 | Yes |
Popular Name: 2-[[(2S)-1,4-dioxan-2-yl]methyl-methyl-amino]-5-(pentanoylamino)pyridine-3-carboxylic 2-[[(2S)-1,4-dioxan-2-yl]methyl-…
| 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) | 1.56 | 7.47 | -53.21 | 2 | 8 | 0 | 105 | 351.403 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.56 | 6.95 | -61.8 | 1 | 8 | -1 | 104 | 350.395 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
