| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2005 | 20 | Yes |
Popular Name: 5-methyl-8-pentyl-N-tert-butyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-amine 5-methyl-8-pentyl-N-tert-butyl-1…
| 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) | 5.23 | 10.59 | -22.15 | 2 | 3 | 1 | 31 | 274.432 | 6 | ↓ |
| Hi High (pH 8-9.5) | 5.23 | 10.17 | -8.63 | 1 | 3 | 0 | 29 | 273.424 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 5.23 | 10.79 | -90.59 | 3 | 3 | 2 | 35 | 275.44 | 6 | ↓ |
