| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 18 | No |
Popular Name: N-[(3S)-1,1-dioxothian-3-yl]-3-hydroxy-pyridine-2-carboxamide N-[(3S)-1,1-dioxothian-3-yl]-3-h…
| 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) | -0.13 | 0.64 | -50.61 | 2 | 6 | 0 | 100 | 270.31 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.13 | 0.17 | -58.79 | 1 | 6 | -1 | 99 | 269.302 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.13 | -0.83 | -19.06 | 2 | 6 | 0 | 96 | 270.31 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
