UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

3940300
3940300

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3aR,4aS,8aR,9S,9aS)-1-methyl-9-[(E)-2-[5-(p-tolyl)-2-pyridyl]vinyl]-3a,4,4a,5,6,7,8,8a,9,9a-deca (1R,3aR,4aS,8aR,9S,9aS)-1-methyl…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PAR1-1-E Proteinase Activated Receptor 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 325 0.30 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PAR1_HUMAN P25116 Proteinase Activated Receptor 1, Human 325 0.30 Binding ≤ 1μM
PAR1_HUMAN P25116 Proteinase Activated Receptor 1, Human 325 0.30 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) 5.81 15.07 -9.84 0 3 0 39 401.55 3 ↓
Lo Low (pH 4.5-6) 5.81 15.3 -46.02 1 3 1 40 402.558 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,3aS,4S,4aR,8aS,9aR)-4-[(E)-2-[5-(4-methoxyphenyl)-2-pyridyl]vinyl]-3-methyl-3a,4,4a,5,6,7,8,8a,9 (3R,3aS,4S,4aR,8aS,9aR)-4-[(E)-2…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PAR1-1-E Proteinase Activated Receptor 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 204 0.30 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PAR1_HUMAN P25116 Proteinase Activated Receptor 1, Human 204 0.30 Binding ≤ 1μM
PAR1_HUMAN P25116 Proteinase Activated Receptor 1, Human 204 0.30 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) 5.42 13.69 -11.19 0 4 0 48 417.549 4 ↓
Lo Low (pH 4.5-6) 5.42 13.91 -48.61 1 4 1 50 418.557 4 ↓

Analogs

3955418
3955418
3940301
3940301

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,3aS,4S,4aR,8aS,9aR)-4-[(E)-2-[5-(4-fluorophenyl)-2-pyridyl]vinyl]-3-methyl-3a,4,4a,5,6,7,8,8a,9, (3R,3aS,4S,4aR,8aS,9aR)-4-[(E)-2…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PAR1-1-E Proteinase Activated Receptor 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 467 0.30 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PAR1_HUMAN P25116 Proteinase Activated Receptor 1, Human 467 0.30 Binding ≤ 1μM
PAR1_HUMAN P25116 Proteinase Activated Receptor 1, Human 467 0.30 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) 5.53 14.46 -10.57 0 3 0 39 405.513 3 ↓
Lo Low (pH 4.5-6) 5.53 14.69 -50.86 1 3 1 40 406.521 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,3aS,4S,4aR,8aS,9aR)-4-[(E)-2-[5-(4-chlorophenyl)-2-pyridyl]vinyl]-3-methyl-3a,4,4a,5,6,7,8,8a,9, (3R,3aS,4S,4aR,8aS,9aR)-4-[(E)-2…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PAR1-1-E Proteinase Activated Receptor 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 1000 0.28 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PAR1_HUMAN P25116 Proteinase Activated Receptor 1, Human 1000 0.28 Binding ≤ 1μM
PAR1_HUMAN P25116 Proteinase Activated Receptor 1, Human 1000 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) 6.04 14.91 -9.99 0 3 0 39 421.968 3 ↓
Lo Low (pH 4.5-6) 6.04 15.14 -50.05 1 3 1 40 422.976 3 ↓

Analogs

3940302
3940302
3940296
3940296

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,3aS,4S,4aR,8aS,9aR)-3-methyl-4-[(E)-2-[5-[4-(trifluoromethyl)phenyl]-2-pyridyl]vinyl]-3a,4,4a,5, (3R,3aS,4S,4aR,8aS,9aR)-3-methyl…

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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) 6.26 15.39 -10.82 0 3 0 39 455.52 4 ↓
Lo Low (pH 4.5-6) 6.26 15.63 -52.8 1 3 1 40 456.528 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3aR,4aS,8aR,9S,9aS)-1-methyl-9-[(E)-2-[5-(o-tolyl)-2-pyridyl]vinyl]-3a,4,4a,5,6,7,8,8a,9,9a-deca (1R,3aR,4aS,8aR,9S,9aS)-1-methyl…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PAR1-1-E Proteinase Activated Receptor 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 14 0.37 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PAR1_HUMAN P25116 Proteinase Activated Receptor 1, Human 14 0.37 Binding ≤ 1μM
PAR1_HUMAN P25116 Proteinase Activated Receptor 1, Human 14 0.37 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) 5.76 14.99 -9.23 0 3 0 39 401.55 3 ↓
Lo Low (pH 4.5-6) 5.76 15.22 -45.54 1 3 1 40 402.558 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,3aS,4S,4aR,8aS,9aR)-3-methyl-4-[(E)-2-[5-[2-(trifluoromethyl)phenyl]-2-pyridyl]vinyl]-3a,4,4a,5, (3R,3aS,4S,4aR,8aS,9aR)-3-methyl…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PAR1-1-E Proteinase Activated Receptor 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 46 0.31 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PAR1_HUMAN P25116 Proteinase Activated Receptor 1, Human 46 0.31 Binding ≤ 1μM
PAR1_HUMAN P25116 Proteinase Activated Receptor 1, Human 46 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) 6.21 15.28 -10.63 0 3 0 39 455.52 4 ↓
Lo Low (pH 4.5-6) 6.21 15.5 -45.9 1 3 1 40 456.528 4 ↓

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
PAR1-1-E Proteinase Activated Receptor 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 44 0.30 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PAR1_HUMAN P25116 Proteinase Activated Receptor 1, Human 44 0.30 Binding ≤ 1μM
PAR1_HUMAN P25116 Proteinase Activated Receptor 1, Human 44 0.30 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) 5.52 15.97 -12.26 0 5 0 66 459.586 6 ↓
Lo Low (pH 4.5-6) 5.52 16.18 -43.11 1 5 1 67 460.594 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,3aS,4S,4aR,8aS,9aR)-4-[(E)-2-[5-(2-methoxyphenyl)-2-pyridyl]vinyl]-3-methyl-3a,4,4a,5,6,7,8,8a,9 (3R,3aS,4S,4aR,8aS,9aR)-4-[(E)-2…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PAR1-1-E Proteinase Activated Receptor 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 11 0.36 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PAR1_HUMAN P25116 Proteinase Activated Receptor 1, Human 11 0.36 Binding ≤ 1μM
PAR1_HUMAN P25116 Proteinase Activated Receptor 1, Human 11 0.36 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) 5.37 14.01 -10.93 0 4 0 48 417.549 4 ↓
Lo Low (pH 4.5-6) 5.37 14.23 -42.56 1 4 1 50 418.557 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,3aS,4S,4aR,8aS,9aR)-4-[(E)-2-[5-(2-chlorophenyl)-2-pyridyl]vinyl]-3-methyl-3a,4,4a,5,6,7,8,8a,9, (3R,3aS,4S,4aR,8aS,9aR)-4-[(E)-2…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PAR1-1-E Proteinase Activated Receptor 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 26 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PAR1_HUMAN P25116 Proteinase Activated Receptor 1, Human 26 0.35 Binding ≤ 1μM
PAR1_HUMAN P25116 Proteinase Activated Receptor 1, Human 26 0.35 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) 5.99 14.91 -10.31 0 3 0 39 421.968 3 ↓
Lo Low (pH 4.5-6) 5.99 15.13 -43.28 1 3 1 40 422.976 3 ↓

Analogs

3955418
3955418
3940301
3940301

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,3aS,4S,4aR,8aS,9aR)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridyl]vinyl]-3-methyl-3a,4,4a,5,6,7,8,8a,9, (3R,3aS,4S,4aR,8aS,9aR)-4-[(E)-2…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PAR1-1-E Proteinase Activated Receptor 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 35 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PAR1_HUMAN P25116 Proteinase Activated Receptor 1, Human 35 0.35 Binding ≤ 1μM
PAR1_HUMAN P25116 Proteinase Activated Receptor 1, Human 35 0.35 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) 5.50 14.46 -10.51 0 3 0 39 405.513 3 ↓
Lo Low (pH 4.5-6) 5.50 14.69 -50.26 1 3 1 40 406.521 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,3aS,4S,4aR,8aS,9aR)-4-[(E)-2-[5-(3-bromophenyl)-2-pyridyl]vinyl]-3-methyl-3a,4,4a,5,6,7,8,8a,9,9 (3R,3aS,4S,4aR,8aS,9aR)-4-[(E)-2…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PAR1-1-E Proteinase Activated Receptor 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 25 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PAR1_HUMAN P25116 Proteinase Activated Receptor 1, Human 25 0.35 Binding ≤ 1μM
PAR1_HUMAN P25116 Proteinase Activated Receptor 1, Human 25 0.35 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) 6.15 15.02 -9.9 0 3 0 39 466.419 3 ↓
Lo Low (pH 4.5-6) 6.15 15.24 -49.37 1 3 1 40 467.427 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[6-[(E)-2-[(3R,3aS,4S,4aR,8aS,9aR)-3-methyl-1-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f]iso 3-[6-[(E)-2-[(3R,3aS,4S,4aR,8aS,…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PAR1-1-E Proteinase Activated Receptor 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 25 0.34 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PAR1_HUMAN P25116 Proteinase Activated Receptor 1, Human 25 0.34 Binding ≤ 1μM
PAR1_HUMAN P25116 Proteinase Activated Receptor 1, Human 25 0.34 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) 5.09 14.78 -13.62 0 4 0 63 412.533 3 ↓
Lo Low (pH 4.5-6) 5.09 15 -53.82 1 4 1 64 413.541 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3aR,4aS,8aR,9S,9aS)-1-methyl-9-[(E)-2-[5-(m-tolyl)-2-pyridyl]vinyl]-3a,4,4a,5,6,7,8,8a,9,9a-deca (1R,3aR,4aS,8aR,9S,9aS)-1-methyl…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PAR1-1-E Proteinase Activated Receptor 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 13 0.37 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PAR1_HUMAN P25116 Proteinase Activated Receptor 1, Human 13 0.37 Binding ≤ 1μM
PAR1_HUMAN P25116 Proteinase Activated Receptor 1, Human 13 0.37 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) 5.79 15.06 -9.86 0 3 0 39 401.55 3 ↓
Lo Low (pH 4.5-6) 5.79 15.28 -46.1 1 3 1 40 402.558 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,3aS,4S,4aR,8aS,9aR)-4-[(E)-2-[5-(3-isopropylphenyl)-2-pyridyl]vinyl]-3-methyl-3a,4,4a,5,6,7,8,8a (3R,3aS,4S,4aR,8aS,9aR)-4-[(E)-2…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PAR1-1-E Proteinase Activated Receptor 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 19 0.34 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PAR1_HUMAN P25116 Proteinase Activated Receptor 1, Human 19 0.34 Binding ≤ 1μM
PAR1_HUMAN P25116 Proteinase Activated Receptor 1, Human 19 0.34 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) 6.85 16.3 -9.54 0 3 0 39 429.604 4 ↓
Lo Low (pH 4.5-6) 6.85 16.53 -46.18 1 3 1 40 430.612 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,3aS,4S,4aR,8aS,9aR)-4-[(E)-2-[5-(3-methoxyphenyl)-2-pyridyl]vinyl]-3-methyl-3a,4,4a,5,6,7,8,8a,9 (3R,3aS,4S,4aR,8aS,9aR)-4-[(E)-2…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PAR1-1-E Proteinase Activated Receptor 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 28 0.34 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PAR1_HUMAN P25116 Proteinase Activated Receptor 1, Human 28 0.34 Binding ≤ 1μM
PAR1_HUMAN P25116 Proteinase Activated Receptor 1, Human 28 0.34 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) 5.39 13.69 -11.57 0 4 0 48 417.549 4 ↓
Lo Low (pH 4.5-6) 5.39 13.91 -46.91 1 4 1 50 418.557 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[6-[(E)-2-[(3R,3aS,4S,4aR,8aS,9aR)-3-methyl-1-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f]iso 3-[6-[(E)-2-[(3R,3aS,4S,4aR,8aS,…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PAR1-1-E Proteinase Activated Receptor 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 100 0.30 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PAR1_HUMAN P25116 Proteinase Activated Receptor 1, Human 100 0.30 Binding ≤ 1μM
PAR1_HUMAN P25116 Proteinase Activated Receptor 1, Human 100 0.30 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) 4.03 9.39 -17.66 2 6 0 99 466.603 4 ↓

Parameters Provided:

ring.id = 221936
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 = 221936 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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