| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 17th, 2009 | 42 | 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) | 6.98 | 9.45 | -16.5 | 5 | 10 | 0 | 146 | 596.854 | 18 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CATD-1-E | Cathepsin D (cluster #1 Of 1), Eukaryotic | Eukaryotes | 16 | 0.26 | Binding ≤ 10μM |
| ECE1-1-E | Endothelin-converting Enzyme 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 6 | 0.27 | Binding ≤ 10μM |
| RENI-1-E | Renin (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1400 | 0.20 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CATD_BOVIN | P80209 | Cathepsin D, Bovin | 16 | 0.26 | Binding ≤ 1μM |
| ECE1_RAT | P42893 | Endothelin-converting Enzyme 1, Rat | 5.7 | 0.27 | Binding ≤ 1μM |
| CATD_BOVIN | P80209 | Cathepsin D, Bovin | 16 | 0.26 | Binding ≤ 10μM |
| ECE1_RAT | P42893 | Endothelin-converting Enzyme 1, Rat | 5.7 | 0.27 | Binding ≤ 10μM |
| RENI_HUMAN | P00797 | Renin, Human | 1400 | 0.20 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Metabolism of Angiotensinogen to Angiotensins |
