| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2010 | 13 | Yes |
Popular Name: Piperazine, 1-(1H-imidazol-4-ylmethyl)-4-methyl- (9CI) Piperazine, 1-(1H-imidazol-4-ylm…
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CAS Number: 279679-93-5
| 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) | -0.14 | 3.59 | -39.72 | 2 | 4 | 1 | 36 | 181.263 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.14 | 0.98 | -7.32 | 1 | 4 | 0 | 35 | 180.255 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.14 | 1.75 | -33.9 | 2 | 4 | 1 | 36 | 181.263 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.14 | 4.11 | -82.66 | 3 | 4 | 2 | 38 | 182.271 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.