| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 23rd, 2007 | 18 | Yes |
Popular Name: 5-methyl-9-(1-methylpentyl)-2,8,9-triazabicyclo[4.3.0]nona-1,3,5,7-tetraene-3,7-diol 5-methyl-9-(1-methylpentyl)-2,8,…
| 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) | 3.05 | 2.41 | -9.67 | 2 | 5 | 0 | 71 | 249.314 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.05 | 3.13 | -45.61 | 1 | 5 | -1 | 74 | 248.306 | 4 | ↓ |
