| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 24th, 2008 | 23 | Yes |
Popular Name: 4-(4-Guanidinobenzoyloxy)phenylacetate 4-(4-Guanidinobenzoyloxy)phenyla…
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CAS Number: 71079-08-8
| 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) | 2.17 | 8.24 | -76.61 | 5 | 7 | 0 | 130 | 313.313 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KLK1-1-E | Kallikrein 1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2320 | 0.34 | Binding ≤ 10μM |
| TRY1-1-E | Trypsin I (cluster #1 Of 5), Eukaryotic | Eukaryotes | 55 | 0.44 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TRY1_HUMAN | P07477 | Trypsin I, Human | 55 | 0.44 | Binding ≤ 1μM |
| KLK1_HUMAN | P06870 | Kallikrein 1, Human | 2320 | 0.34 | Binding ≤ 10μM |
| TRY1_HUMAN | P07477 | Trypsin I, Human | 55 | 0.44 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of Matrix Metalloproteinases | |
| Cobalamin (Cbl, vitamin B12) transport and metabolism | |
| Regulation of Insulin-like Growth Factor (IGF) transport and uptake by Insulin-l |
No pre-computed analogs available. Try a structural similarity search.