| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 25th, 2010 | 20 | No |
Popular Name: 1-methylsulfonyl-4-[(5-nitropyrazol-1-yl)methyl]-1,4-diazepane 1-methylsulfonyl-4-[(5-nitropyra…
| 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) | 0.02 | 2.67 | -12.37 | 0 | 9 | 0 | 104 | 303.344 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.02 | 4.81 | -42.75 | 1 | 9 | 1 | 105 | 304.352 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
