| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 1st, 2009 | 30 | No |
Popular Name: 1-(4-Isothiocyanatobenzyl)ethylenediamine-n,n,n',n'-tetraacetic acid 1-(4-Isothiocyanatobenzyl)ethyle…
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CAS Number: 105394-74-9
| 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) | -3.14 | 6.48 | -185.77 | 1 | 11 | -3 | 181 | 436.422 | 14 | ↓ |
| Lo Low (pH 4.5-6) | -3.14 | 8.22 | -118.63 | 2 | 11 | -2 | 182 | 437.43 | 14 | ↓ |
