In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 8th, 2007 | 14 | Yes |
Popular Name: 1'-ethyl-5'-methyl-1'H,2H-3,4'-bipyrazol-5-amine 1'-ethyl-5'-methyl-1'H,2H-3,4'-b…
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CAS Number: 943107-19-5
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) | 0.57 | 2.54 | -8.84 | 3 | 5 | 0 | 73 | 191.238 | 2 | ↓ |
Lo Low (pH 4.5-6) | 0.57 | 2.72 | -30.92 | 4 | 5 | 1 | 74 | 192.246 | 2 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.