| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2008 | 20 | Yes |
Popular Name: 4-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}aniline 4-{[4-(pyridin-2-yl)piperazin-1-…
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CAS Number: 1016763-96-4
| 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) | 1.51 | 4.52 | -31.53 | 3 | 4 | 1 | 47 | 269.372 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.51 | 6.54 | -36.93 | 3 | 4 | 1 | 47 | 269.372 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.51 | 4.23 | -7.21 | 2 | 4 | 0 | 45 | 268.364 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.51 | 6.83 | -93.34 | 4 | 4 | 2 | 48 | 270.38 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 101 - 103 | Enamine Building Blocks |
| MP | 101...103 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
