UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

27844230
27844230
27844236
27844236
27846846
27846846
27846853
27846853
27846861
27846861

Draw Identity 99% 90% 80% 70%

Popular Name: methoxy(methyl)BLAHone methoxy(methyl)BLAHone

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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) 1.73 6.64 -57.96 1 4 1 40 300.378 1 ↓
Hi High (pH 8-9.5) 1.73 4.97 -13.48 0 4 0 39 299.37 1 ↓

Analogs

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Popular Name: (E)-3-(4-chlorophenyl)-N-[cyclopropylmethyl(oxo)BLAHyl]prop-2-enamide (E)-3-(4-chlorophenyl)-N-[cyclop…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
OPRD-1-E Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 37 0.30 Binding ≤ 10μM
OPRK-1-E Kappa Opioid Receptor (cluster #1 Of 6), Eukaryotic Eukaryotes 12 0.32 Binding ≤ 10μM
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 1 0.36 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRD_HUMAN P41143 Delta Opioid Receptor, Human 36.8 0.30 Binding ≤ 1μM
OPRK_HUMAN P41145 Kappa Opioid Receptor, Human 11.9 0.32 Binding ≤ 1μM
OPRM_HUMAN P35372 Mu Opioid Receptor, Human 0.54 0.37 Binding ≤ 1μM
OPRD_HUMAN P41143 Delta Opioid Receptor, Human 36.8 0.30 Binding ≤ 10μM
OPRK_HUMAN P41145 Kappa Opioid Receptor, Human 11.9 0.32 Binding ≤ 10μM
OPRM_HUMAN P35372 Mu Opioid Receptor, Human 0.54 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) 4.61 13.82 -43.04 2 5 1 60 490.023 5 ↓
Hi High (pH 8-9.5) 4.61 12.01 -8.8 1 5 0 59 489.015 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: hydroxy(methyl)BLAHone hydroxy(methyl)BLAHone

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
OPRD-1-E Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 16 0.52 Binding ≤ 10μM
OPRK-1-E Kappa Opioid Receptor (cluster #1 Of 6), Eukaryotic Eukaryotes 16 0.52 Binding ≤ 10μM
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 16 0.52 Binding ≤ 10μM
SGMR1-1-E Sigma Opioid Receptor (cluster #1 Of 6), Eukaryotic Eukaryotes 16 0.52 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRD_RAT P33533 Delta Opioid Receptor, Rat 1.4 0.59 Binding ≤ 1μM
OPRK_RAT P34975 Kappa Opioid Receptor, Rat 1.4 0.59 Binding ≤ 1μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 1.4 0.59 Binding ≤ 1μM
SGMR1_RAT Q9R0C9 Sigma Opioid Receptor, Rat 1.4 0.59 Binding ≤ 1μM
OPRD_RAT P33533 Delta Opioid Receptor, Rat 1.4 0.59 Binding ≤ 10μM
OPRK_RAT P34975 Kappa Opioid Receptor, Rat 1.4 0.59 Binding ≤ 10μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 1.4 0.59 Binding ≤ 10μM
SGMR1_RAT Q9R0C9 Sigma Opioid Receptor, Rat 1.4 0.59 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) 0.98 4.88 -54.08 2 4 1 51 286.351 0 ↓
Hi High (pH 8-9.5) 0.98 3.08 -13.46 1 4 0 50 285.343 0 ↓

Analogs

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Popular Name: benzyloxy-methoxy-methyl-BLAHone benzyloxy-methoxy-methyl-BLAHone

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
OPRD-1-E Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 9 0.38 Binding ≤ 10μM
OPRK-1-E Kappa Opioid Receptor (cluster #1 Of 6), Eukaryotic Eukaryotes 9 0.38 Binding ≤ 10μM
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 9 0.38 Binding ≤ 10μM
SGMR1-1-E Sigma Opioid Receptor (cluster #1 Of 6), Eukaryotic Eukaryotes 9 0.38 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRD_RAT P33533 Delta Opioid Receptor, Rat 0.8 0.42 Binding ≤ 1μM
OPRK_RAT P34975 Kappa Opioid Receptor, Rat 0.8 0.42 Binding ≤ 1μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 0.8 0.42 Binding ≤ 1μM
SGMR1_RAT Q9R0C9 Sigma Opioid Receptor, Rat 0.8 0.42 Binding ≤ 1μM
OPRD_RAT P33533 Delta Opioid Receptor, Rat 0.8 0.42 Binding ≤ 10μM
OPRK_RAT P34975 Kappa Opioid Receptor, Rat 0.8 0.42 Binding ≤ 10μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 0.8 0.42 Binding ≤ 10μM
SGMR1_RAT Q9R0C9 Sigma Opioid Receptor, Rat 0.8 0.42 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) 3.00 11.16 -65.98 1 5 1 49 406.502 4 ↓
Mid Mid (pH 6-8) 3.00 9.07 -16.22 0 5 0 48 405.494 4 ↓

Analogs

3982101
3982101

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Popular Name: hydroxy-methoxy-methyl-BLAHone hydroxy-methoxy-methyl-BLAHone

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
OPRD-1-E Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 0 0.00 Binding ≤ 10μM
OPRD-1-E Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 5 0.51 Binding ≤ 10μM
OPRK-1-E Kappa Opioid Receptor (cluster #1 Of 6), Eukaryotic Eukaryotes 0 0.00 Binding ≤ 10μM
OPRK-1-E Kappa Opioid Receptor (cluster #1 Of 6), Eukaryotic Eukaryotes 2658 0.34 Binding ≤ 10μM
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 0 0.00 Binding ≤ 10μM
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 44 0.45 Binding ≤ 10μM
SGMR1-1-E Sigma Opioid Receptor (cluster #1 Of 6), Eukaryotic Eukaryotes 0 0.00 Binding ≤ 10μM
OPRD-1-E Delta Opioid Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 31 0.46 Functional ≤ 10μM
OPRM-1-E Mu Opioid Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 2 0.53 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRD_RAT P33533 Delta Opioid Receptor, Rat 0.1 0.61 Binding ≤ 1μM
OPRK_CAVPO P41144 Kappa Opioid Receptor, Guinea Pig 10.2 0.49 Binding ≤ 1μM
OPRK_RAT P34975 Kappa Opioid Receptor, Rat 0.1 0.61 Binding ≤ 1μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 0.1 0.61 Binding ≤ 1μM
SGMR1_RAT Q9R0C9 Sigma Opioid Receptor, Rat 0.1 0.61 Binding ≤ 1μM
OPRD_RAT P33533 Delta Opioid Receptor, Rat 0.1 0.61 Binding ≤ 10μM
OPRK_CAVPO P41144 Kappa Opioid Receptor, Guinea Pig 10.2 0.49 Binding ≤ 10μM
OPRK_RAT P34975 Kappa Opioid Receptor, Rat 0.1 0.61 Binding ≤ 10μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 0.1 0.61 Binding ≤ 10μM
SGMR1_RAT Q9R0C9 Sigma Opioid Receptor, Rat 0.1 0.61 Binding ≤ 10μM
OPRD_MOUSE P32300 Delta Opioid Receptor, Mouse 30.5 0.46 Functional ≤ 10μM
OPRM_CAVPO P97266 Mu Opioid Receptor, Guinea Pig 2 0.53 Functional ≤ 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) 1.09 5.01 -65.44 2 5 1 60 316.377 1 ↓
Mid Mid (pH 6-8) 1.09 2.92 -14.91 1 5 0 59 315.369 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methoxy(methyl)BLAHone methoxy(methyl)BLAHone

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
OPRD-1-E Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 16 0.50 Binding ≤ 10μM
OPRK-1-E Kappa Opioid Receptor (cluster #1 Of 6), Eukaryotic Eukaryotes 16 0.50 Binding ≤ 10μM
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 16 0.50 Binding ≤ 10μM
SGMR1-1-E Sigma Opioid Receptor (cluster #1 Of 6), Eukaryotic Eukaryotes 16 0.50 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRD_RAT P33533 Delta Opioid Receptor, Rat 0.2 0.62 Binding ≤ 1μM
OPRK_RAT P34975 Kappa Opioid Receptor, Rat 0.2 0.62 Binding ≤ 1μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 0.2 0.62 Binding ≤ 1μM
SGMR1_RAT Q9R0C9 Sigma Opioid Receptor, Rat 0.2 0.62 Binding ≤ 1μM
OPRD_RAT P33533 Delta Opioid Receptor, Rat 0.2 0.62 Binding ≤ 10μM
OPRK_RAT P34975 Kappa Opioid Receptor, Rat 0.2 0.62 Binding ≤ 10μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 0.2 0.62 Binding ≤ 10μM
SGMR1_RAT Q9R0C9 Sigma Opioid Receptor, Rat 0.2 0.62 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) 1.59 6.82 -49.17 1 4 1 40 300.378 1 ↓
Mid Mid (pH 6-8) 1.59 5.05 -11.67 0 4 0 39 299.37 1 ↓

Analogs

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Popular Name: allyloxy-hydroxy-methyl-BLAHone allyloxy-hydroxy-methyl-BLAHone

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
OPRD-1-E Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 36 0.42 Binding ≤ 10μM
OPRK-1-E Kappa Opioid Receptor (cluster #1 Of 6), Eukaryotic Eukaryotes 34 0.42 Binding ≤ 10μM
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 1 0.50 Binding ≤ 10μM
OPRD-1-E Delta Opioid Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 63 0.40 Functional ≤ 10μM
OPRM-1-E Mu Opioid Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 18 0.43 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRD_RAT P33533 Delta Opioid Receptor, Rat 36 0.42 Binding ≤ 1μM
OPRK_CAVPO P41144 Kappa Opioid Receptor, Guinea Pig 33.8 0.42 Binding ≤ 1μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 0.61 0.52 Binding ≤ 1μM
OPRD_RAT P33533 Delta Opioid Receptor, Rat 36 0.42 Binding ≤ 10μM
OPRK_CAVPO P41144 Kappa Opioid Receptor, Guinea Pig 33.8 0.42 Binding ≤ 10μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 0.61 0.52 Binding ≤ 10μM
OPRD_MOUSE P32300 Delta Opioid Receptor, Mouse 63 0.40 Functional ≤ 10μM
OPRM_CAVPO P97266 Mu Opioid Receptor, Guinea Pig 17.6 0.43 Functional ≤ 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) 1.74 6.55 -67.09 2 5 1 60 342.415 3 ↓
Mid Mid (pH 6-8) 1.74 4.46 -15 1 5 0 59 341.407 3 ↓

Analogs

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Popular Name: (E)-N-(cyclopropylmethyl-methoxy-oxo-BLAHyl)-3-(o-tolyl)prop-2-enamide (E)-N-(cyclopropylmethyl-methoxy…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
OPRD-1-E Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 2 0.33 Binding ≤ 10μM
OPRK-1-E Kappa Opioid Receptor (cluster #1 Of 6), Eukaryotic Eukaryotes 2 0.33 Binding ≤ 10μM
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 0 0.00 Binding ≤ 10μM
OPRD-1-E Delta Opioid Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 21 0.29 Functional ≤ 10μM
OPRK-1-E Kappa Opioid Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 2 0.33 Functional ≤ 10μM
OPRM-1-E Mu Opioid Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 3 0.32 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRD_HUMAN P41143 Delta Opioid Receptor, Human 2.3 0.33 Binding ≤ 1μM
OPRK_CAVPO P41144 Kappa Opioid Receptor, Guinea Pig 2.1 0.33 Binding ≤ 1μM
OPRM_CAVPO P97266 Mu Opioid Receptor, Guinea Pig 0.2 0.37 Binding ≤ 1μM
OPRD_HUMAN P41143 Delta Opioid Receptor, Human 2.3 0.33 Binding ≤ 10μM
OPRK_CAVPO P41144 Kappa Opioid Receptor, Guinea Pig 2.1 0.33 Binding ≤ 10μM
OPRM_CAVPO P97266 Mu Opioid Receptor, Guinea Pig 0.2 0.37 Binding ≤ 10μM
OPRD_HUMAN P41143 Delta Opioid Receptor, Human 20.9 0.29 Functional ≤ 10μM
OPRK_HUMAN P41145 Kappa Opioid Receptor, Human 1.8 0.33 Functional ≤ 10μM
OPRM_HUMAN P35372 Mu Opioid Receptor, Human 2.6 0.32 Functional ≤ 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) 3.97 12.32 -47.32 2 6 1 69 499.631 6 ↓
Hi High (pH 8-9.5) 3.97 10.75 -11.83 1 6 0 68 498.623 6 ↓

Analogs

40786733
40786733

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Popular Name: methoxy-methyl-vinyl-BLAHone methoxy-methyl-vinyl-BLAHone

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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) 2.48 8.17 -62.39 1 4 1 40 326.416 2 ↓

Analogs

34347883
34347883

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Popular Name: cyclopropyl-methoxy-methyl-BLAHone cyclopropyl-methoxy-methyl-BLAHone

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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) 2.70 8.86 -65.09 1 4 1 40 340.443 2 ↓

Analogs

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Popular Name: methoxy-methyl-phenyl-BLAHone methoxy-methyl-phenyl-BLAHone

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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) 3.53 9.01 -69.86 1 4 1 40 376.476 2 ↓

Analogs

34347871
34347871

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Popular Name: methoxy-methyl-propyl-BLAHone methoxy-methyl-propyl-BLAHone

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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) 3.27 8.31 -57.43 1 4 1 40 342.459 3 ↓

Analogs

34347871
34347871

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Popular Name: methoxy-methyl-propyl-BLAHone methoxy-methyl-propyl-BLAHone

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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) 3.27 8.9 -65.95 1 4 1 40 342.459 3 ↓

Analogs

36221604
36221604

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Popular Name: (E)-3-(4-chlorophenyl)-N-(cyclopropylmethyl-methoxy-oxo-BLAHyl)prop-2-enamide (E)-3-(4-chlorophenyl)-N-(cyclop…

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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) 4.42 14.29 -52.38 2 6 1 69 520.049 6 ↓

Analogs

34650693
34650693

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Popular Name: cyclopropylmethyl-hydroxy-(3-phenylpropoxy)BLAHone cyclopropylmethyl-hydroxy-(3-phe…

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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) 4.29 11.72 -58.59 2 5 1 60 460.594 7 ↓

Analogs

34650693
34650693

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Popular Name: cyclopropylmethyl-hydroxy-(3-phenylpropoxy)BLAHone cyclopropylmethyl-hydroxy-(3-phe…

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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) 4.29 11.29 -62.67 2 5 1 60 460.594 7 ↓

Analogs

40567315
40567315
40567404
40567404
49785843
49785843
49785844
49785844
49785845
49785845

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Popular Name: (E)-N-(cyclopropylmethyl-hydroxy-oxo-BLAHyl)-3-(p-tolyl)prop-2-enamide (E)-N-(cyclopropylmethyl-hydroxy…

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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) 3.89 11.89 -52.97 3 6 1 80 485.604 5 ↓

Parameters Provided:

ring.id = 389
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 = 389 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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