| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2005 | 20 | Yes |
Popular Name: 9-butyl-7-methyl-4,8,10-trioxo-5,7,9-triazabicyclo[4.4.0]deca-2,11-diene-3-carbonitrile 9-butyl-7-methyl-4,8,10-trioxo-5…
| 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) | 1.11 | 3.93 | -34.58 | 0 | 7 | -1 | 104 | 273.272 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.65 | 5.76 | -13.84 | 1 | 7 | 0 | 101 | 274.28 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.11 | 4.06 | -30.35 | 0 | 7 | -1 | 104 | 273.272 | 3 | ↓ |
