| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 17th, 2005 | 24 | Yes |
Popular Name: 4-[3-(4-methyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-8-yl)phenyl]amino-4-oxo-butanoic 4-[3-(4-methyl-1,7-diazabicyclo[…
| 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) | 2.32 | 9.7 | -63.74 | 1 | 6 | -1 | 87 | 322.344 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.32 | 10.14 | -63.25 | 2 | 6 | 0 | 88 | 323.352 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.32 | 8.17 | -35.73 | 3 | 6 | 1 | 85 | 324.36 | 5 | ↓ |
