| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 24th, 2009 | 29 | No |
Popular Name: 3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-5-(1-piperidylmethyl)-1,3,4-oxadiazole-2-thione 3-[[4-(4-nitrophenyl)piperazin-1…
None
| 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) | 2.26 | 9.13 | -125.21 | 2 | 9 | 2 | 89 | 420.539 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.26 | 6.86 | -56.58 | 1 | 9 | 1 | 88 | 419.531 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.26 | 6.76 | -54.81 | 1 | 9 | 1 | 88 | 419.531 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.26 | 4.5 | -13.46 | 0 | 9 | 0 | 87 | 418.523 | 6 | ↓ |
