| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 27th, 2007 | 21 | Yes |
Popular Name: 8-butyl-3-(4-methylpiperazin-1-yl)-2,4,8-triazabicyclo[4.4.0]deca-1,3,5-triene 8-butyl-3-(4-methylpiperazin-1-y…
| 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) | 2.37 | 11.37 | -85.29 | 2 | 5 | 2 | 38 | 291.443 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.37 | 6.73 | -5.64 | 0 | 5 | 0 | 35 | 289.427 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.37 | 9 | -42.3 | 1 | 5 | 1 | 37 | 290.435 | 4 | ↓ |
