In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 23rd, 2006 | 24 | Yes |
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) | 0.59 | -7.91 | -67.29 | 10 | 6 | 2 | 127 | 326.448 | 9 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
TRY1-1-E | Trypsin I (cluster #1 Of 5), Eukaryotic | Eukaryotes | 1600 | 0.34 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
TRY1_HUMAN | P07477 | Trypsin I, Human | 1600 | 0.34 | Binding ≤ 10μM |
Description | Species |
---|---|
Activation of Matrix Metalloproteinases | |
Cobalamin (Cbl, vitamin B12) transport and metabolism |