| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 11th, 2011 | 24 | Yes |
Popular Name: trans-1,2-Cyclohexanediaminetetraacetic acid trans-1,2-Cyclohexanediaminetetr…
Find On: PubMed — Wikipedia — Google
CAS Number: [13291-61-7]
| 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) | -1.71 | 3.98 | -47 | 5 | 10 | 0 | 214 | 343.312 | 8 | ↓ |
| Hi High (pH 8-9.5) | -1.71 | 4.13 | -217.37 | 5 | 10 | -3 | 214 | 343.312 | 8 | ↓ |
| Hi High (pH 8-9.5) | -1.71 | 3.93 | -307.67 | 4 | 10 | -4 | 213 | 342.304 | 8 | ↓ |
| Mid Mid (pH 6-8) | -1.71 | 3.56 | -70.28 | 6 | 10 | 0 | 216 | 344.32 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.