| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 17th, 2009 | 43 | No |
Popular Name: tert-butyl tert-butyl
| 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) | 5.89 | 8.4 | -50.6 | 6 | 11 | 1 | 150 | 612.877 | 19 | ↓ |
| Hi High (pH 8-9.5) | 5.89 | 5.86 | -12.93 | 5 | 11 | 0 | 149 | 611.869 | 19 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CATD-1-E | Cathepsin D (cluster #1 Of 1), Eukaryotic | Eukaryotes | 300 | 0.21 | Binding ≤ 10μM |
| ECE1-1-E | Endothelin-converting Enzyme 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 8 | 0.26 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CATD_BOVIN | P80209 | Cathepsin D, Bovin | 300 | 0.21 | Binding ≤ 1μM |
| ECE1_RAT | P42893 | Endothelin-converting Enzyme 1, Rat | 7.8 | 0.26 | Binding ≤ 1μM |
| CATD_BOVIN | P80209 | Cathepsin D, Bovin | 300 | 0.21 | Binding ≤ 10μM |
| ECE1_RAT | P42893 | Endothelin-converting Enzyme 1, Rat | 7.8 | 0.26 | Binding ≤ 10μM |
