In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 31st, 2009 | 16 | Yes |
Popular Name: N3-(4,5-dihydro-1H-imidazol-2-yl)-N1,N1,2-trimethyl-benzene-1,3-diamine N3-(4,5-dihydro-1H-imidazol-2-yl…
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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) | 1.81 | 7.08 | -27.41 | 3 | 4 | 1 | 41 | 219.312 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.81 | 7.14 | -76.92 | 4 | 4 | 2 | 42 | 220.32 | 3 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | EP0821585A1 | IBM Patent Data |