| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 34 | Yes |
Popular Name: Isovaleryl-val-val-sta-oet Isovaleryl-val-val-sta-oet
Find On: PubMed — Wikipedia — Google
CAS Number: 120849-36-7
| 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) | 2.70 | 7.17 | -12.7 | 4 | 9 | 0 | 134 | 485.666 | 16 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PEPA-1-E | Pepsin A (cluster #1 Of 2), Eukaryotic | Eukaryotes | 10 | 0.33 | Binding ≤ 10μM |
| PEPA-1-E | Pepsin A (cluster #1 Of 2), Eukaryotic | Eukaryotes | 10 | 0.33 | Binding ≤ 10μM |
| CARP-1-F | Saccharopepesin (cluster #1 Of 1), Fungal | Fungi | 42 | 0.30 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PEPA_PIG | P00791 | Pepsin A, Pig | 10 | 0.33 | Binding ≤ 1μM |
| CARP_RHICH | P06026 | Rhizopuspepsin, Rhich | 42 | 0.30 | Binding ≤ 1μM |
| PEPA_PIG | P00791 | Pepsin A, Pig | 10 | 0.33 | Binding ≤ 10μM |
| CARP_RHICH | P06026 | Rhizopuspepsin, Rhich | 42 | 0.30 | Binding ≤ 10μM |
