| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 16th, 2006 | 17 | Yes |
Popular Name: 4-(4,7,9-triazabicyclo[4.3.0]nona-2,4,7,10-tetraen-8-yl)benzonitrile 4-(4,7,9-triazabicyclo[4.3.0]non…
| 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) | 2.21 | 6.13 | -39.67 | 2 | 4 | 1 | 67 | 221.243 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.21 | 5.72 | -12.32 | 1 | 4 | 0 | 65 | 220.235 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 2.21 | 6.4 | -110.43 | 3 | 4 | 2 | 68 | 222.251 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 2.21 | 6 | -44.67 | 2 | 4 | 1 | 67 | 221.243 | 1 | ↓ |
