| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2010 | 19 | Yes |
Popular Name: 5-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)-1,2-dihydro-1,2,4-triazol-3-one 5-(4-methylsulfonyl-1,4-diazepan…
| 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) | -1.43 | -3.15 | -64.68 | 1 | 9 | -1 | 122 | 288.309 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -1.43 | -3.74 | -19.87 | 2 | 9 | 0 | 119 | 289.317 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -1.43 | -2.89 | -34.63 | 2 | 9 | 0 | 124 | 289.317 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
