UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[6-(3-carbamimidoylphenoxy)-3,5-difluoro-4-methoxy-2-pyridyl]oxy]benzamidine 3-[[6-(3-carbamimidoylphenoxy)-3…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FA10-2-E Coagulation Factor X (cluster #2 Of 2), Eukaryotic Eukaryotes 23 0.36 Binding ≤ 10μM
TRY1-1-E Trypsin I (cluster #1 Of 5), Eukaryotic Eukaryotes 1100 0.28 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FA10_HUMAN P00742 Coagulation Factor X, Human 23 0.36 Binding ≤ 1μM
FA10_HUMAN P00742 Coagulation Factor X, Human 23 0.36 Binding ≤ 10μM
TRY1_HUMAN P07477 Trypsin I, Human 1100 0.28 Binding ≤ 10μM

Physical Representations

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) 1.80 3.02 -89.74 8 8 2 144 415.4 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[5-amino-6-(3-carbamimidoylphenoxy)-2-pyridyl]oxy]benzamidine 3-[[5-amino-6-(3-carbamimidoylph…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FA10-2-E Coagulation Factor X (cluster #2 Of 2), Eukaryotic Eukaryotes 53 0.38 Binding ≤ 10μM
TRY1-1-E Trypsin I (cluster #1 Of 5), Eukaryotic Eukaryotes 1300 0.31 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FA10_HUMAN P00742 Coagulation Factor X, Human 53 0.38 Binding ≤ 1μM
FA10_HUMAN P00742 Coagulation Factor X, Human 53 0.38 Binding ≤ 10μM
TRY1_HUMAN P07477 Trypsin I, Human 1300 0.31 Binding ≤ 10μM

Physical Representations

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) 1.05 0.56 -78.81 10 8 2 161 364.409 6 ↓
Mid Mid (pH 6-8) 1.05 1.5 -139.9 11 8 3 162 365.417 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2,6-bis(3-carbamimidoylphenoxy)-3-pyridyl]acetamide N-[2,6-bis(3-carbamimidoylphenox…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FA10-1-E Coagulation Factor X (cluster #1 Of 2), Eukaryotic Eukaryotes 52 0.34 Binding ≤ 10μM
TRY1-1-E Trypsin I (cluster #1 Of 5), Eukaryotic Eukaryotes 1200 0.28 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FA10_HUMAN P00742 Coagulation Factor X, Human 52 0.34 Binding ≤ 1μM
FA10_HUMAN P00742 Coagulation Factor X, Human 52 0.34 Binding ≤ 10μM
TRY1_HUMAN P07477 Trypsin I, Human 1200 0.28 Binding ≤ 10μM

Physical Representations

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) 0.78 2.51 -83.67 9 9 2 164 406.446 7 ↓
Lo Low (pH 4.5-6) 0.78 3.11 -145.28 10 9 3 165 407.454 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[6-(3-carbamimidoylphenoxy)-5-methanesulfonamido-2-pyridyl]oxy]benzamidine 3-[[6-(3-carbamimidoylphenoxy)-5…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FA10-1-E Coagulation Factor X (cluster #1 Of 2), Eukaryotic Eukaryotes 130 0.31 Binding ≤ 10μM
TRY1-1-E Trypsin I (cluster #1 Of 5), Eukaryotic Eukaryotes 1900 0.26 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FA10_HUMAN P00742 Coagulation Factor X, Human 130 0.31 Binding ≤ 1μM
FA10_HUMAN P00742 Coagulation Factor X, Human 130 0.31 Binding ≤ 10μM
TRY1_HUMAN P07477 Trypsin I, Human 1900 0.26 Binding ≤ 10μM

Physical Representations

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) 0.80 1.75 -87.52 9 10 2 181 442.501 8 ↓
Hi High (pH 8-9.5) 0.80 1.83 -85.89 8 10 1 183 441.493 8 ↓
Lo Low (pH 4.5-6) 0.80 1.81 -155.93 10 10 3 182 443.509 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2,6-bis(3-carbamimidoylphenoxy)-3-pyridyl]-3-methyl-urea 1-[2,6-bis(3-carbamimidoylphenox…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FA10-1-E Coagulation Factor X (cluster #1 Of 2), Eukaryotic Eukaryotes 59 0.33 Binding ≤ 10μM
TRY1-1-E Trypsin I (cluster #1 Of 5), Eukaryotic Eukaryotes 840 0.27 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FA10_HUMAN P00742 Coagulation Factor X, Human 59 0.33 Binding ≤ 1μM
TRY1_HUMAN P07477 Trypsin I, Human 840 0.27 Binding ≤ 1μM
FA10_HUMAN P00742 Coagulation Factor X, Human 59 0.33 Binding ≤ 10μM
TRY1_HUMAN P07477 Trypsin I, Human 840 0.27 Binding ≤ 10μM

Physical Representations

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) 1.07 1.17 -83.96 10 10 2 176 421.461 7 ↓
Lo Low (pH 4.5-6) 1.07 1.77 -145.55 11 10 3 177 422.469 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2,6-bis(3-carbamimidoylphenoxy)-3-pyridyl]carbamoylamino]acetamide 2-[[2,6-bis(3-carbamimidoylpheno…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FA10-1-E Coagulation Factor X (cluster #1 Of 2), Eukaryotic Eukaryotes 110 0.29 Binding ≤ 10μM
TRY1-1-E Trypsin I (cluster #1 Of 5), Eukaryotic Eukaryotes 280 0.27 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FA10_HUMAN P00742 Coagulation Factor X, Human 110 0.29 Binding ≤ 1μM
TRY1_HUMAN P07477 Trypsin I, Human 280 0.27 Binding ≤ 1μM
FA10_HUMAN P00742 Coagulation Factor X, Human 110 0.29 Binding ≤ 10μM
TRY1_HUMAN P07477 Trypsin I, Human 280 0.27 Binding ≤ 10μM

Physical Representations

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) -0.20 -1.82 -84.9 12 12 2 219 464.486 9 ↓
Lo Low (pH 4.5-6) -0.20 -1.21 -147.57 13 12 3 220 465.494 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[6-(3-carbamimidoylphenoxy)-5-(trifluoromethyl)-2-pyridyl]oxy]benzamidine 3-[[6-(3-carbamimidoylphenoxy)-5…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FA10-2-E Coagulation Factor X (cluster #2 Of 2), Eukaryotic Eukaryotes 110 0.32 Binding ≤ 10μM
TRY1-1-E Trypsin I (cluster #1 Of 5), Eukaryotic Eukaryotes 780 0.29 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FA10_HUMAN P00742 Coagulation Factor X, Human 110 0.32 Binding ≤ 1μM
TRY1_HUMAN P07477 Trypsin I, Human 780 0.29 Binding ≤ 1μM
FA10_HUMAN P00742 Coagulation Factor X, Human 110 0.32 Binding ≤ 10μM
TRY1_HUMAN P07477 Trypsin I, Human 780 0.29 Binding ≤ 10μM

Physical Representations

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) 2.46 5.15 -87.06 8 7 2 135 417.391 7 ↓
Lo Low (pH 4.5-6) 2.46 5.61 -154.39 9 7 3 136 418.399 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,6-bis(3-carbamimidoylphenoxy)pyridine-3-carboxamide 2,6-bis(3-carbamimidoylphenoxy)p…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FA10-2-E Coagulation Factor X (cluster #2 Of 2), Eukaryotic Eukaryotes 600 0.30 Binding ≤ 10μM
TRY1-1-E Trypsin I (cluster #1 Of 5), Eukaryotic Eukaryotes 1200 0.29 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FA10_HUMAN P00742 Coagulation Factor X, Human 600 0.30 Binding ≤ 1μM
FA10_HUMAN P00742 Coagulation Factor X, Human 600 0.30 Binding ≤ 10μM
TRY1_HUMAN P07477 Trypsin I, Human 1200 0.29 Binding ≤ 10μM

Physical Representations

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) 0.38 0.53 -85.9 10 9 2 178 392.419 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,6-bis(3-carbamimidoylphenoxy)-N-methyl-pyridine-3-carboxamide 2,6-bis(3-carbamimidoylphenoxy)-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FA10-1-E Coagulation Factor X (cluster #1 Of 2), Eukaryotic Eukaryotes 230 0.31 Binding ≤ 10μM
TRY1-1-E Trypsin I (cluster #1 Of 5), Eukaryotic Eukaryotes 1400 0.27 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FA10_HUMAN P00742 Coagulation Factor X, Human 230 0.31 Binding ≤ 1μM
FA10_HUMAN P00742 Coagulation Factor X, Human 230 0.31 Binding ≤ 10μM
TRY1_HUMAN P07477 Trypsin I, Human 1400 0.27 Binding ≤ 10μM

Physical Representations

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) 0.76 4.47 -85.42 9 9 2 164 406.446 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,6-bis(3-carbamimidoylphenoxy)-N,N-dimethyl-pyridine-3-carboxamide 2,6-bis(3-carbamimidoylphenoxy)-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FA10-1-E Coagulation Factor X (cluster #1 Of 2), Eukaryotic Eukaryotes 32 0.34 Binding ≤ 10μM
TRY1-1-E Trypsin I (cluster #1 Of 5), Eukaryotic Eukaryotes 780 0.28 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FA10_HUMAN P00742 Coagulation Factor X, Human 32 0.34 Binding ≤ 1μM
TRY1_HUMAN P07477 Trypsin I, Human 780 0.28 Binding ≤ 1μM
FA10_HUMAN P00742 Coagulation Factor X, Human 32 0.34 Binding ≤ 10μM
TRY1_HUMAN P07477 Trypsin I, Human 780 0.28 Binding ≤ 10μM

Physical Representations

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) 0.53 3.82 -86.12 8 9 2 155 420.473 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-amino-2-oxo-ethyl)-2,6-bis(3-carbamimidoylphenoxy)pyridine-3-carboxamide N-(2-amino-2-oxo-ethyl)-2,6-bis(…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FA10-1-E Coagulation Factor X (cluster #1 Of 2), Eukaryotic Eukaryotes 690 0.26 Binding ≤ 10μM
TRY1-1-E Trypsin I (cluster #1 Of 5), Eukaryotic Eukaryotes 2000 0.24 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FA10_HUMAN P00742 Coagulation Factor X, Human 690 0.26 Binding ≤ 1μM
FA10_HUMAN P00742 Coagulation Factor X, Human 690 0.26 Binding ≤ 10μM
TRY1_HUMAN P07477 Trypsin I, Human 2000 0.24 Binding ≤ 10μM

Physical Representations

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) -0.51 1.48 -87.05 11 11 2 207 449.471 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FA10-1-E Coagulation Factor X (cluster #1 Of 2), Eukaryotic Eukaryotes 190 0.30 Binding ≤ 10μM
TRY1-1-E Trypsin I (cluster #1 Of 5), Eukaryotic Eukaryotes 920 0.27 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FA10_HUMAN P00742 Coagulation Factor X, Human 190 0.30 Binding ≤ 1μM
TRY1_HUMAN P07477 Trypsin I, Human 920 0.27 Binding ≤ 1μM
FA10_HUMAN P00742 Coagulation Factor X, Human 190 0.30 Binding ≤ 10μM
TRY1_HUMAN P07477 Trypsin I, Human 920 0.27 Binding ≤ 10μM

Physical Representations

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) 1.77 4.83 -82.97 8 9 2 161 421.457 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,6-bis(3-carbamimidoylphenoxy)pyridine-3-carboxylic 2,6-bis(3-carbamimidoylphenoxy)p…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FA10-2-E Coagulation Factor X (cluster #2 Of 2), Eukaryotic Eukaryotes 95 0.34 Binding ≤ 10μM
TRY1-1-E Trypsin I (cluster #1 Of 5), Eukaryotic Eukaryotes 2200 0.27 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FA10_HUMAN P00742 Coagulation Factor X, Human 95 0.34 Binding ≤ 1μM
FA10_HUMAN P00742 Coagulation Factor X, Human 95 0.34 Binding ≤ 10μM
TRY1_HUMAN P07477 Trypsin I, Human 2200 0.27 Binding ≤ 10μM

Physical Representations

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) 1.14 2.89 -100.66 8 9 1 175 392.395 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,6-bis(3-carbamimidoylphenoxy)pyridine-4-carboxamide 2,6-bis(3-carbamimidoylphenoxy)p…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FA10-2-E Coagulation Factor X (cluster #2 Of 2), Eukaryotic Eukaryotes 42 0.36 Binding ≤ 10μM
THRB-4-E Prothrombin (cluster #4 Of 8), Eukaryotic Eukaryotes 6000 0.25 Binding ≤ 10μM
TRY1-1-E Trypsin I (cluster #1 Of 5), Eukaryotic Eukaryotes 780 0.29 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FA10_HUMAN P00742 Coagulation Factor X, Human 42 0.36 Binding ≤ 1μM
TRY1_HUMAN P07477 Trypsin I, Human 780 0.29 Binding ≤ 1μM
FA10_HUMAN P00742 Coagulation Factor X, Human 42 0.36 Binding ≤ 10μM
THRB_HUMAN P00734 Thrombin, Human 6000 0.25 Binding ≤ 10μM
TRY1_HUMAN P07477 Trypsin I, Human 780 0.29 Binding ≤ 10μM

Physical Representations

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) 0.38 1.31 -85.05 10 9 2 178 392.419 7 ↓

Analogs

34558985
34558985

Draw Identity 99% 90% 80% 70%

Popular Name: 2,6-bis(3-carbamimidoylphenoxy)-N-methyl-pyridine-4-carboxamide 2,6-bis(3-carbamimidoylphenoxy)-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FA10-2-E Coagulation Factor X (cluster #2 Of 2), Eukaryotic Eukaryotes 60 0.34 Binding ≤ 10μM
THRB-4-E Prothrombin (cluster #4 Of 8), Eukaryotic Eukaryotes 4200 0.25 Binding ≤ 10μM
TRY1-1-E Trypsin I (cluster #1 Of 5), Eukaryotic Eukaryotes 750 0.29 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FA10_HUMAN P00742 Coagulation Factor X, Human 60 0.34 Binding ≤ 1μM
TRY1_HUMAN P07477 Trypsin I, Human 750 0.29 Binding ≤ 1μM
FA10_HUMAN P00742 Coagulation Factor X, Human 60 0.34 Binding ≤ 10μM
THRB_HUMAN P00734 Thrombin, Human 4200 0.25 Binding ≤ 10μM
TRY1_HUMAN P07477 Trypsin I, Human 750 0.29 Binding ≤ 10μM

Physical Representations

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) 0.76 2.8 -85.03 9 9 2 164 406.446 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FA10-2-E Coagulation Factor X (cluster #2 Of 2), Eukaryotic Eukaryotes 34 0.34 Binding ≤ 10μM
TRY1-1-E Trypsin I (cluster #1 Of 5), Eukaryotic Eukaryotes 800 0.28 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FA10_HUMAN P00742 Coagulation Factor X, Human 34 0.34 Binding ≤ 1μM
TRY1_HUMAN P07477 Trypsin I, Human 800 0.28 Binding ≤ 1μM
FA10_HUMAN P00742 Coagulation Factor X, Human 34 0.34 Binding ≤ 10μM
TRY1_HUMAN P07477 Trypsin I, Human 800 0.28 Binding ≤ 10μM

Physical Representations

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) 2.11 6.12 -81.54 8 9 2 161 421.457 9 ↓

Parameters Provided:

ring.id = 228200
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 228200 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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