| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2010 | 19 | Yes |
Popular Name: 4-(2-amino-2-oxo-ethyl)-N-(1,3,4-thiadiazol-2-yl)-1,4-diazepane-1-carboxamide 4-(2-amino-2-oxo-ethyl)-N-(1,3,4…
| 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) | -0.70 | 1.67 | -59.2 | 4 | 8 | 1 | 106 | 285.353 | 3 | ↓ |
| Hi High (pH 8-9.5) | -1.07 | 0.46 | -53.78 | 3 | 8 | 0 | 112 | 284.345 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.70 | 0.05 | -22.72 | 3 | 8 | 0 | 104 | 284.345 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
