| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 26th, 2011 | 31 | Yes |
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CAS Numbers: 1044598-91-5 , 1305320-63-1 , 6337-56-0 , [1044598-91-5]
4-[4-[[2-(4-Chlorophenyl)-5,5-dimethyl-1-cyclohexenyl]methyl]-1-piperazinyl]benzoic Acid
4-[4-[[2-(4-Chlorophenyl)-5,5-dimethyl-1-cyclohexenyl]methyl]-1-piperazinyl]benzoic acid, HCl
4-[4-[[2-(4-Chlorophenyl)-5,5-dimethyl-1-cyclohexenyl]methyl]-1-piperazinyl]benzoicAcidHydrochloride
| 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) | 6.14 | 15.53 | -83.14 | 1 | 4 | 0 | 48 | 438.999 | 5 | ↓ |
| Mid Mid (pH 6-8) | 6.14 | 13.38 | -52.64 | 0 | 4 | -1 | 47 | 437.991 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.