| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 20th, 2009 | 34 | Yes |
Popular Name: 3-[4,8,11-tris(2-carboxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]propanoic 3-[4,8,11-tris(2-carboxyethyl)-1…
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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) | -1.10 | 7.23 | -204.53 | 1 | 12 | -3 | 175 | 485.558 | 12 | ↓ |
| Mid Mid (pH 6-8) | -1.10 | 9.48 | -184.6 | 2 | 12 | -2 | 176 | 486.566 | 12 | ↓ |
| Mid Mid (pH 6-8) | -1.10 | 11.18 | -202.25 | 3 | 12 | -1 | 177 | 487.574 | 12 | ↓ |
| Mid Mid (pH 6-8) | -1.10 | 9.34 | -205.51 | 2 | 12 | -2 | 176 | 486.566 | 12 | ↓ |
| Lo Low (pH 4.5-6) | -1.10 | 13.56 | -259.16 | 4 | 12 | 0 | 178 | 488.582 | 12 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP1051422A1 | IBM Patent Data |
