| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 20 | Yes |
Popular Name: 5-[(5-oxo-1,4-diazepane-1-carbonyl)amino]pyridine-3-carboxylic 5-[(5-oxo-1,4-diazepane-1-carbon…
| 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) | -0.59 | 1.83 | -49.99 | 2 | 8 | -1 | 114 | 277.26 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -0.59 | 2.28 | -44.52 | 3 | 8 | 0 | 116 | 278.268 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
