| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2008 | 14 | No |
Popular Name: 4-(4-chlorophenyl)piperazin-1-amine 4-(4-chlorophenyl)piperazin-1-amine
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CAS Number: 71416-11-0
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) | 2.00 | 3.32 | -45.24 | 3 | 3 | 1 | 34 | 212.704 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.00 | 2.4 | -3.61 | 2 | 3 | 0 | 32 | 211.696 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| 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) | 1.95 | 3.99 | -42.26 | 3 | 3 | 1 | 34 | 212.704 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.95 | 4.16 | -3.02 | 2 | 3 | 0 | 32 | 211.696 | 1 | ↓ |
Popular Name: 4-phenylpiperazin-1-amine 4-phenylpiperazin-1-amine
| 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) | 1.32 | 2.99 | -3.36 | 2 | 3 | 0 | 32 | 177.251 | 1 | ↓ |
