In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 24th, 2009 | 25 | No |
Popular Name: 2-[4,7-bis(carboxymethyl)-10-methyl-1,4,7,10-tetrazacyclododec-1-yl]acetic 2-[4,7-bis(carboxymethyl)-10-met…
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) | -4.54 | 3.42 | -95.13 | 2 | 10 | -1 | 136 | 359.403 | 6 | ↓ |
Hi High (pH 8-9.5) | -4.54 | 1.81 | -114.8 | 1 | 10 | -2 | 135 | 358.395 | 6 | ↓ |
Note Type | Comments | Provided By |
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PUBCHEM_PATENT_ID | EP0232751A1; EP0232751B1; EP0292689A2; EP0292689B1; EP0369497A1; EP0394394A1; EP0394394B1; US4885363; US4889931; US5474756; US5674470; US5846519; US6143274 | IBM Patent Data |