| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 6th, 2010 | 33 | Yes |
Popular Name: 4-tert-butyl-N-[3-(4-methylpiperazin-1-yl)propyl]-N-(3-oxo-3-piperazin-1-yl-propyl)benzamide 4-tert-butyl-N-[3-(4-methylpiper…
| 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) | 1.72 | 8.62 | -40.35 | 2 | 7 | 1 | 60 | 458.671 | 9 | ↓ |
| Hi High (pH 8-9.5) | 1.72 | 6.24 | -11.61 | 1 | 7 | 0 | 59 | 457.663 | 9 | ↓ |
| Hi High (pH 8-9.5) | 1.72 | 8.5 | -42.49 | 2 | 7 | 1 | 60 | 458.671 | 9 | ↓ |
| Mid Mid (pH 6-8) | 1.72 | 9.91 | -93.9 | 3 | 7 | 2 | 65 | 459.679 | 9 | ↓ |
