| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 10th, 2011 | 18 | Yes |
Popular Name: (2S)-1-(3-hydroxypyridine-2-carbonyl)-2-methyl-1,4-diazepan-5-one (2S)-1-(3-hydroxypyridine-2-carb…
| 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) | -0.11 | 2.82 | -50.43 | 1 | 6 | -1 | 85 | 248.262 | 1 | ↓ |
| Mid Mid (pH 6-8) | -0.11 | 1.83 | -13.11 | 2 | 6 | 0 | 83 | 249.27 | 1 | ↓ |
| Mid Mid (pH 6-8) | -0.11 | 0.89 | -34.48 | 2 | 6 | 0 | 87 | 249.27 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
