UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-(2-naphthyl)pyridine-3-carboxylic 5-(2-naphthyl)pyridine-3-carboxylic

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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) 3.40 8.95 -47.76 0 3 -1 53 248.261 2 ↓
Lo Low (pH 4.5-6) 3.40 9.41 -46.39 1 3 0 54 249.269 2 ↓

Analogs

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Popular Name: 5-(2-naphthyl)pyridin-2-amine 5-(2-naphthyl)pyridin-2-amine

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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) 3.67 7.15 -6.95 2 2 0 39 220.275 1 ↓
Mid Mid (pH 6-8) 3.67 7.62 -34.23 3 2 1 40 221.283 1 ↓

Analogs

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Popular Name: 5-(6-methoxy-2-naphthyl)pyridin-2-amine 5-(6-methoxy-2-naphthyl)pyridin-…

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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) 3.70 6.44 -8.2 2 3 0 48 250.301 2 ↓
Mid Mid (pH 6-8) 3.70 6.92 -36.63 3 3 1 49 251.309 2 ↓

Analogs

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Popular Name: DNC005714 DNC005714

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
C11B1-2-E Cytochrome P450 11B1 (cluster #2 Of 2), Eukaryotic Eukaryotes 5826 0.46 Binding ≤ 10μM
C11B2-1-E Cytochrome P450 11B2 (cluster #1 Of 2), Eukaryotic Eukaryotes 28 0.66 Binding ≤ 10μM
CP19A-3-E Cytochrome P450 19A1 (cluster #3 Of 3), Eukaryotic Eukaryotes 5727 0.46 Binding ≤ 10μM
CP19A-2-E Cytochrome P450 19A1 (cluster #2 Of 2), Eukaryotic Eukaryotes 5700 0.46 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
C11B2_HUMAN P19099 Cytochrome P450 11B2, Human 28 0.66 Binding ≤ 1μM
C11B1_HUMAN P15538 Cytochrome P450 11B1, Human 5826 0.46 Binding ≤ 10μM
C11B2_HUMAN P19099 Cytochrome P450 11B2, Human 28 0.66 Binding ≤ 10μM
CP19A_HUMAN P11511 Cytochrome P450 19A1, Human 5727 0.46 Binding ≤ 10μM
CP19A_HUMAN P11511 Cytochrome P450 19A1, Human 5700 0.46 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) 3.85 8.41 -6.46 0 1 0 13 205.26 1 ↓
Lo Low (pH 4.5-6) 3.85 8.69 -36.22 1 1 1 14 206.268 1 ↓

Analogs

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Popular Name: DNC005715 DNC005715

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
C11B1-2-E Cytochrome P450 11B1 (cluster #2 Of 2), Eukaryotic Eukaryotes 1577 0.45 Binding ≤ 10μM
C11B2-1-E Cytochrome P450 11B2 (cluster #1 Of 2), Eukaryotic Eukaryotes 6 0.64 Binding ≤ 10μM
CP17A-1-E Cytochrome P450 17A1 (cluster #1 Of 2), Eukaryotic Eukaryotes 667 0.48 Binding ≤ 10μM
CP19A-3-E Cytochrome P450 19A1 (cluster #3 Of 3), Eukaryotic Eukaryotes 586 0.48 Binding ≤ 10μM
CP19A-2-E Cytochrome P450 19A1 (cluster #2 Of 2), Eukaryotic Eukaryotes 600 0.48 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
C11B2_HUMAN P19099 Cytochrome P450 11B2, Human 6 0.64 Binding ≤ 1μM
CP17A_HUMAN P05093 Cytochrome P450 17A1, Human 667 0.48 Binding ≤ 1μM
CP19A_HUMAN P11511 Cytochrome P450 19A1, Human 586 0.48 Binding ≤ 1μM
C11B1_HUMAN P15538 Cytochrome P450 11B1, Human 1577 0.45 Binding ≤ 10μM
C11B2_HUMAN P19099 Cytochrome P450 11B2, Human 6 0.64 Binding ≤ 10μM
CP17A_HUMAN P05093 Cytochrome P450 17A1, Human 667 0.48 Binding ≤ 10μM
CP19A_HUMAN P11511 Cytochrome P450 19A1, Human 586 0.48 Binding ≤ 10μM
CP19A_HUMAN P11511 Cytochrome P450 19A1, Human 600 0.48 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) 3.88 7.7 -7.58 0 2 0 22 235.286 2 ↓
Lo Low (pH 4.5-6) 3.88 7.98 -39.23 1 2 1 23 236.294 2 ↓

Analogs

34574406
34574406

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Popular Name: DNC005716 DNC005716

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
C11B1-2-E Cytochrome P450 11B1 (cluster #2 Of 2), Eukaryotic Eukaryotes 2671 0.46 Binding ≤ 10μM
C11B2-1-E Cytochrome P450 11B2 (cluster #1 Of 2), Eukaryotic Eukaryotes 23 0.63 Binding ≤ 10μM
CP19A-3-E Cytochrome P450 19A1 (cluster #3 Of 3), Eukaryotic Eukaryotes 2700 0.46 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
C11B2_HUMAN P19099 Cytochrome P450 11B2, Human 23 0.63 Binding ≤ 1μM
C11B1_HUMAN P15538 Cytochrome P450 11B1, Human 2671 0.46 Binding ≤ 10μM
C11B2_HUMAN P19099 Cytochrome P450 11B2, Human 23 0.63 Binding ≤ 10μM
CP19A_HUMAN P11511 Cytochrome P450 19A1, Human 2700 0.46 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) 3.34 5.56 -7.76 1 2 0 33 221.259 1 ↓
Lo Low (pH 4.5-6) 3.34 5.85 -39.26 2 2 1 34 222.267 1 ↓

Analogs

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Popular Name: DNC005717 DNC005717

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
C11B1-2-E Cytochrome P450 11B1 (cluster #2 Of 2), Eukaryotic Eukaryotes 2939 0.46 Binding ≤ 10μM
C11B2-1-E Cytochrome P450 11B2 (cluster #1 Of 2), Eukaryotic Eukaryotes 15 0.64 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
C11B2_HUMAN P19099 Cytochrome P450 11B2, Human 15 0.64 Binding ≤ 1μM
C11B1_HUMAN P15538 Cytochrome P450 11B1, Human 2939 0.46 Binding ≤ 10μM
C11B2_HUMAN P19099 Cytochrome P450 11B2, Human 15 0.64 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) 4.63 9.01 -5.96 0 1 0 13 284.156 1 ↓
Lo Low (pH 4.5-6) 4.63 9.29 -38.58 1 1 1 14 285.164 1 ↓

Analogs

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Popular Name: DNC005718 DNC005718

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
C11B1-2-E Cytochrome P450 11B1 (cluster #2 Of 2), Eukaryotic Eukaryotes 5419 0.39 Binding ≤ 10μM
C11B2-1-E Cytochrome P450 11B2 (cluster #1 Of 2), Eukaryotic Eukaryotes 12 0.58 Binding ≤ 10μM
CP19A-3-E Cytochrome P450 19A1 (cluster #3 Of 3), Eukaryotic Eukaryotes 6638 0.38 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
C11B2_HUMAN P19099 Cytochrome P450 11B2, Human 12 0.58 Binding ≤ 1μM
C11B1_HUMAN P15538 Cytochrome P450 11B1, Human 5419 0.39 Binding ≤ 10μM
C11B2_HUMAN P19099 Cytochrome P450 11B2, Human 12 0.58 Binding ≤ 10μM
CP19A_HUMAN P11511 Cytochrome P450 19A1, Human 6638 0.38 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) 4.25 8.64 -7.43 0 2 0 22 249.313 3 ↓
Lo Low (pH 4.5-6) 4.25 8.92 -39.18 1 2 1 23 250.321 3 ↓

Analogs

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Popular Name: 3-(6-propoxy-2-naphthyl)pyridine 3-(6-propoxy-2-naphthyl)pyridine

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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) 4.76 9.44 -7.11 0 2 0 22 263.34 4 ↓
Lo Low (pH 4.5-6) 4.76 9.72 -38.9 1 2 1 23 264.348 4 ↓

Analogs

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Popular Name: DNC005719 DNC005719

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
C11B1-2-E Cytochrome P450 11B1 (cluster #2 Of 2), Eukaryotic Eukaryotes 691 0.48 Binding ≤ 10μM
C11B2-1-E Cytochrome P450 11B2 (cluster #1 Of 2), Eukaryotic Eukaryotes 3 0.66 Binding ≤ 10μM
CP17A-1-E Cytochrome P450 17A1 (cluster #1 Of 2), Eukaryotic Eukaryotes 686 0.48 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
C11B1_HUMAN P15538 Cytochrome P450 11B1, Human 691 0.48 Binding ≤ 1μM
C11B2_HUMAN P19099 Cytochrome P450 11B2, Human 2.9 0.66 Binding ≤ 1μM
CP17A_HUMAN P05093 Cytochrome P450 17A1, Human 686 0.48 Binding ≤ 1μM
C11B1_HUMAN P15538 Cytochrome P450 11B1, Human 691 0.48 Binding ≤ 10μM
C11B2_HUMAN P19099 Cytochrome P450 11B2, Human 2.9 0.66 Binding ≤ 10μM
CP17A_HUMAN P05093 Cytochrome P450 17A1, Human 686 0.48 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) 3.58 8.79 -8.56 0 2 0 37 230.27 1 ↓
Lo Low (pH 4.5-6) 3.58 9.07 -42.42 1 2 1 38 231.278 1 ↓

Analogs

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Popular Name: DNC005720 DNC005720

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
C11B1-2-E Cytochrome P450 11B1 (cluster #2 Of 2), Eukaryotic Eukaryotes 2517 0.41 Binding ≤ 10μM
C11B2-1-E Cytochrome P450 11B2 (cluster #1 Of 2), Eukaryotic Eukaryotes 13 0.58 Binding ≤ 10μM
CP19A-3-E Cytochrome P450 19A1 (cluster #3 Of 3), Eukaryotic Eukaryotes 1805 0.42 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
C11B2_HUMAN P19099 Cytochrome P450 11B2, Human 13 0.58 Binding ≤ 1μM
C11B1_HUMAN P15538 Cytochrome P450 11B1, Human 2517 0.41 Binding ≤ 10μM
C11B2_HUMAN P19099 Cytochrome P450 11B2, Human 13 0.58 Binding ≤ 10μM
CP19A_HUMAN P11511 Cytochrome P450 19A1, Human 1805 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) 4.48 8.17 -8.64 0 2 0 22 269.731 2 ↓
Lo Low (pH 4.5-6) 4.48 8.45 -42.23 1 2 1 23 270.739 2 ↓

Analogs

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Popular Name: DNC005721 DNC005721

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
C11B1-2-E Cytochrome P450 11B1 (cluster #2 Of 2), Eukaryotic Eukaryotes 4481 0.39 Binding ≤ 10μM
C11B2-1-E Cytochrome P450 11B2 (cluster #1 Of 2), Eukaryotic Eukaryotes 33 0.55 Binding ≤ 10μM
CP19A-3-E Cytochrome P450 19A1 (cluster #3 Of 3), Eukaryotic Eukaryotes 9107 0.37 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
C11B2_HUMAN P19099 Cytochrome P450 11B2, Human 33 0.55 Binding ≤ 1μM
C11B1_HUMAN P15538 Cytochrome P450 11B1, Human 4481 0.39 Binding ≤ 10μM
C11B2_HUMAN P19099 Cytochrome P450 11B2, Human 33 0.55 Binding ≤ 10μM
CP19A_HUMAN P11511 Cytochrome P450 19A1, Human 9107 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) 4.62 8.27 -8.65 0 2 0 22 314.182 2 ↓
Lo Low (pH 4.5-6) 4.62 8.56 -42.13 1 2 1 23 315.19 2 ↓

Analogs

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Popular Name: 3-(1,5-dichloro-6-methoxy-2-naphthyl)pyridine 3-(1,5-dichloro-6-methoxy-2-naph…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
C11B1-2-E Cytochrome P450 11B1 (cluster #2 Of 2), Eukaryotic Eukaryotes 4898 0.37 Binding ≤ 10μM
C11B2-1-E Cytochrome P450 11B2 (cluster #1 Of 2), Eukaryotic Eukaryotes 28 0.53 Binding ≤ 10μM
CP17A-1-E Cytochrome P450 17A1 (cluster #1 Of 2), Eukaryotic Eukaryotes 233 0.46 Binding ≤ 10μM
CP19A-3-E Cytochrome P450 19A1 (cluster #3 Of 3), Eukaryotic Eukaryotes 970 0.42 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
C11B2_HUMAN P19099 Cytochrome P450 11B2, Human 28 0.53 Binding ≤ 1μM
CP17A_HUMAN P05093 Cytochrome P450 17A1, Human 233 0.46 Binding ≤ 1μM
CP19A_HUMAN P11511 Cytochrome P450 19A1, Human 970 0.42 Binding ≤ 1μM
C11B1_HUMAN P15538 Cytochrome P450 11B1, Human 4898 0.37 Binding ≤ 10μM
C11B2_HUMAN P19099 Cytochrome P450 11B2, Human 28 0.53 Binding ≤ 10μM
CP17A_HUMAN P05093 Cytochrome P450 17A1, Human 233 0.46 Binding ≤ 10μM
CP19A_HUMAN P11511 Cytochrome P450 19A1, Human 970 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) 5.09 8.58 -7.13 0 2 0 22 304.176 2 ↓
Lo Low (pH 4.5-6) 5.09 8.87 -36.63 1 2 1 23 305.184 2 ↓

Analogs

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Popular Name: 3-(7-methoxy-2-naphthyl)pyridine 3-(7-methoxy-2-naphthyl)pyridine

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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) 3.88 7.7 -8.25 0 2 0 22 235.286 2 ↓
Lo Low (pH 4.5-6) 3.88 7.98 -37.01 1 2 1 23 236.294 2 ↓

Analogs

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Popular Name: DNC005723 DNC005723

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
C11B1-2-E Cytochrome P450 11B1 (cluster #2 Of 2), Eukaryotic Eukaryotes 2724 0.41 Binding ≤ 10μM
C11B2-1-E Cytochrome P450 11B2 (cluster #1 Of 2), Eukaryotic Eukaryotes 29 0.56 Binding ≤ 10μM
CP17A-1-E Cytochrome P450 17A1 (cluster #1 Of 2), Eukaryotic Eukaryotes 27 0.56 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
C11B2_HUMAN P19099 Cytochrome P450 11B2, Human 29 0.56 Binding ≤ 1μM
CP17A_HUMAN P05093 Cytochrome P450 17A1, Human 27 0.56 Binding ≤ 1μM
C11B1_HUMAN P15538 Cytochrome P450 11B1, Human 2724 0.41 Binding ≤ 10μM
C11B2_HUMAN P19099 Cytochrome P450 11B2, Human 29 0.56 Binding ≤ 10μM
CP17A_HUMAN P05093 Cytochrome P450 17A1, Human 27 0.56 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) 4.48 8.11 -9.65 0 2 0 22 269.731 2 ↓
Lo Low (pH 4.5-6) 4.48 8.41 -35.48 1 2 1 23 270.739 2 ↓

Analogs

34574405
34574405
34574406
34574406

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Popular Name: 3-(3-methoxy-2-naphthyl)pyridine 3-(3-methoxy-2-naphthyl)pyridine

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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) 3.83 8.02 -7.28 0 2 0 22 235.286 2 ↓
Lo Low (pH 4.5-6) 3.83 8.32 -33.39 1 2 1 23 236.294 2 ↓

Analogs

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Popular Name: methyl methyl

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
C11B2-1-E Cytochrome P450 11B2 (cluster #1 Of 2), Eukaryotic Eukaryotes 72 0.50 Binding ≤ 10μM
CP19A-3-E Cytochrome P450 19A1 (cluster #3 Of 3), Eukaryotic Eukaryotes 1252 0.41 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
C11B2_HUMAN P19099 Cytochrome P450 11B2, Human 72 0.50 Binding ≤ 1μM
C11B2_HUMAN P19099 Cytochrome P450 11B2, Human 72 0.50 Binding ≤ 10μM
CP19A_HUMAN P11511 Cytochrome P450 19A1, Human 1252 0.41 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) 3.99 9.04 -9.21 0 3 0 39 263.296 3 ↓
Lo Low (pH 4.5-6) 3.99 9.32 -43.25 1 3 1 40 264.304 3 ↓

Analogs

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Popular Name: 6-(3-pyridyl)naphthalene-2-carboxamide 6-(3-pyridyl)naphthalene-2-carbo…

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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) 2.64 5.18 -12.06 2 3 0 56 248.285 2 ↓
Lo Low (pH 4.5-6) 2.64 5.46 -45.8 3 3 1 57 249.293 2 ↓

Analogs

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Popular Name: N-methyl-6-(3-pyridyl)naphthalene-2-carboxamide N-methyl-6-(3-pyridyl)naphthalen…

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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) 3.01 6.68 -12.22 1 3 0 42 262.312 2 ↓
Lo Low (pH 4.5-6) 3.01 6.96 -46.09 2 3 1 43 263.32 2 ↓

Analogs

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Popular Name: YA-0483 YA-0483

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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) 3.77 6.78 -27.78 1 2 0 37 221.259 1 ↓
Hi High (pH 8-9.5) 3.77 6.31 -45.26 0 2 -1 36 220.251 1 ↓
Mid Mid (pH 6-8) 3.77 5.55 -7.03 1 2 0 33 221.259 1 ↓

Analogs

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Popular Name: YA-7282 YA-7282

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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) 3.35 8.95 -49.14 0 3 -1 53 248.261 2 ↓

Analogs

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Popular Name: YA-7286 YA-7286

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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) 3.66 8.96 -59.72 0 3 -1 53 248.261 2 ↓
Lo Low (pH 4.5-6) 3.66 9.37 -39.85 1 3 0 54 249.269 2 ↓

Analogs

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Popular Name: YA-7290 YA-7290

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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) 3.17 8.17 -50.3 3 4 0 80 264.284 2 ↓
Mid Mid (pH 6-8) 3.17 7.7 -50.74 2 4 -1 79 263.276 2 ↓

Analogs

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Popular Name: YA-7291 YA-7291

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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) 3.17 8.4 -41.54 3 4 0 80 264.284 2 ↓
Mid Mid (pH 6-8) 3.17 7.93 -46.04 2 4 -1 79 263.276 2 ↓

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Popular Name: YA-7292 YA-7292

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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) 3.47 5.73 -49.99 1 4 -1 73 264.26 2 ↓

Analogs

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Popular Name: YA-7295 YA-7295

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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) 3.74 8.23 -53.24 0 4 -1 62 278.287 3 ↓

Analogs

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Popular Name: YA-7296 YA-7296

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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) 4.37 9.28 -46.89 0 3 -1 53 282.706 2 ↓

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Popular Name: YA-7297 YA-7297

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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) 4.37 9.38 -45.45 0 3 -1 53 282.706 2 ↓

Analogs

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Popular Name: YB-3923 YB-3923

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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) 3.48 8.11 -37.37 3 4 0 80 264.284 2 ↓
Mid Mid (pH 6-8) 3.48 7.7 -57.61 2 4 -1 79 263.276 2 ↓

Analogs

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Popular Name: 3-(2-naphthyl)pyridin-4-amine 3-(2-naphthyl)pyridin-4-amine

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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) 3.26 7.09 -33.19 3 2 1 40 221.283 1 ↓
Hi High (pH 8-9.5) 3.26 6.62 -6.15 2 2 0 39 220.275 1 ↓

Analogs

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Popular Name: 3-(2-naphthyl)pyridin-2-amine 3-(2-naphthyl)pyridin-2-amine

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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) 3.45 7.54 -5.82 2 2 0 39 220.275 1 ↓
Mid Mid (pH 6-8) 3.45 8.01 -32.52 3 2 1 40 221.283 1 ↓

Parameters Provided:

ring.id = 3596
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 = 3596 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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