UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(7-methoxy-1,8-naphthyridin-2-yl)-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide N-(7-methoxy-1,8-naphthyridin-2-…

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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) 2.09 6.63 -42.26 2 7 0 97 336.351 3 ↓

Analogs

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Popular Name: 7-methoxy-2,4-dimethyl[1,8]naphthyridine; nsc119969 7-methoxy-2,4-dimethyl[1,8]napht…

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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) 2.56 3.59 -11.79 0 3 0 35 188.23 1 ↓

Analogs

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Popular Name: (2R)-N-(5,7-dimethyl-1,8-naphthyridin-2-yl)-2-(2-dodecyltetrazol-5-yl)-2-phenyl-acetamide (2R)-N-(5,7-dimethyl-1,8-naphthy…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SOAT1-1-E Acyl Coenzyme A:cholesterol Acyltransferase 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 1537 0.21 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SOAT1_RAT O70536 Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat 1537 0.21 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) 7.84 16.91 -30.13 1 8 0 98 527.717 15 ↓

Analogs

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Popular Name: (2S)-N-(5,7-dimethyl-1,8-naphthyridin-2-yl)-2-(2-dodecyltetrazol-5-yl)-2-phenyl-acetamide (2S)-N-(5,7-dimethyl-1,8-naphthy…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SOAT1-1-E Acyl Coenzyme A:cholesterol Acyltransferase 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 1537 0.21 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SOAT1_RAT O70536 Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat 1537 0.21 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) 7.84 16.9 -30.43 1 8 0 98 527.717 15 ↓

Analogs

12223028
12223028

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Popular Name: (3S)-1-allyl-N-(5,7-dimethyl-1,8-naphthyridin-2-yl)-5-oxo-pyrrolidine-3-carboxamide (3S)-1-allyl-N-(5,7-dimethyl-1,8…

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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) 2.18 -0.77 -25.83 1 6 0 75 324.384 4 ↓
Lo Low (pH 4.5-6) 2.18 -0.69 -38.83 2 6 1 76 325.392 4 ↓

Analogs

12223027
12223027

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Popular Name: (3R)-1-allyl-N-(5,7-dimethyl-1,8-naphthyridin-2-yl)-5-oxo-pyrrolidine-3-carboxamide (3R)-1-allyl-N-(5,7-dimethyl-1,8…

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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) 2.18 -0.76 -25.56 1 6 0 75 324.384 4 ↓
Lo Low (pH 4.5-6) 2.18 -0.68 -38.51 2 6 1 76 325.392 4 ↓

Analogs

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Popular Name: N-(5,7-dimethyl-1,8-naphthyridin-2-yl)-5-methyl-3-(4-pyridyl)isoxazole-4-carboxamide N-(5,7-dimethyl-1,8-naphthyridin…

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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) 2.41 0.05 -22.41 1 7 0 94 359.389 3 ↓
Lo Low (pH 4.5-6) 2.41 0.13 -35.33 2 7 1 95 360.397 3 ↓

Analogs

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Popular Name: 2-dimethylamino-N-(5,7-dimethyl-1,8-naphthyridin-2-yl)pyrimidine-5-carboxamide 2-dimethylamino-N-(5,7-dimethyl-…

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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) 2.24 -0.88 -24.9 1 7 0 84 322.372 3 ↓
Lo Low (pH 4.5-6) 2.24 -0.79 -35.48 2 7 1 85 323.38 3 ↓

Analogs

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Popular Name: 4-Bromo-1,8-naphthyridine 4-Bromo-1,8-naphthyridine

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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) 2.08 4.46 -9.1 0 2 0 26 209.046 0 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 3.73 7.03 -15.38 0 4 0 52 285.13 4 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 3.61 9.38 -11.1 1 6 0 67 350.422 6 ↓
Lo Low (pH 4.5-6) 3.61 10.11 -46.97 2 6 0 69 351.43 6 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 4.36 11.34 -46.12 2 6 0 69 379.484 8 ↓
Mid Mid (pH 6-8) 4.36 11.26 -10.74 1 6 0 67 378.476 8 ↓

Analogs

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Popular Name: N1-(2,7-dimethyl-1,8-naphthyridin-4-yl)-N4,N4-dimethyl-benzene-1,4-diamine N1-(2,7-dimethyl-1,8-naphthyridi…

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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) 3.86 7.96 -12.73 1 4 0 41 292.386 3 ↓
Lo Low (pH 4.5-6) 3.86 8.74 -66.26 2 4 0 42 293.394 3 ↓

Analogs

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Popular Name: N-[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]-7-[3-(trifluoromethyl)-2-pyridyl]-1,8-naphthyridin-4- N-[4-chloro-5-(trifluoromethyl)p…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TRPV1-1-E Vanilloid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 81 0.31 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TRPV1_HUMAN Q8NER1 Vanilloid Receptor, Human 81 0.31 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) 4.93 11.84 -15.15 1 6 0 76 470.764 5 ↓

Analogs

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Popular Name: 7-[3-(trifluoromethyl)-2-pyridyl]-N-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-naphthyridin-4-amine 7-[3-(trifluoromethyl)-2-pyridyl…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TRPV1-1-E Vanilloid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 4 0.38 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TRPV1_HUMAN Q8NER1 Vanilloid Receptor, Human 4.4 0.38 Functional ≤ 10μM
TRPV1_RAT O35433 Vanilloid Receptor, Rat 4.6 0.38 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) 3.96 11.45 -15.7 1 6 0 76 436.319 5 ↓

Analogs

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Popular Name: N-[5-(trifluoromethyl)pyrazin-2-yl]-7-[3-(trifluoromethyl)-2-pyridyl]-1,8-naphthyridin-4-amine N-[5-(trifluoromethyl)pyrazin-2-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TRPV1-1-E Vanilloid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 6 0.37 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TRPV1_HUMAN Q8NER1 Vanilloid Receptor, Human 5.5 0.37 Functional ≤ 10μM
TRPV1_RAT O35433 Vanilloid Receptor, Rat 6.3 0.37 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) 4.41 9.47 -18.93 1 6 0 76 436.319 5 ↓

Analogs

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Popular Name: 5-(trifluoromethyl)-2-[[7-[3-(trifluoromethyl)-2-pyridyl]-1,8-naphthyridin-4-yl]amino]pyrimidine-4-c 5-(trifluoromethyl)-2-[[7-[3-(tr…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TRPV1-1-E Vanilloid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 1450 0.24 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TRPV1_HUMAN Q8NER1 Vanilloid Receptor, Human 1450 0.24 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) 3.94 11.88 -52.56 1 8 -1 117 479.32 6 ↓

Analogs

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Popular Name: N-[5-(trifluoromethyl)-2-pyridyl]-7-[5-(trifluoromethyl)thiazol-4-yl]-1,8-naphthyridin-4-amine N-[5-(trifluoromethyl)-2-pyridyl…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TRPV1-1-E Vanilloid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 12 0.37 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TRPV1_HUMAN Q8NER1 Vanilloid Receptor, Human 12 0.37 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) 5.10 9.92 -17.72 1 5 0 64 441.36 5 ↓

Analogs

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Popular Name: 5-(trifluoromethyl)-2-[[7-[3-(trifluoromethyl)-2-pyridyl]-1,8-naphthyridin-4-yl]amino]pyrimidine-4-c 5-(trifluoromethyl)-2-[[7-[3-(tr…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TRPV1-1-E Vanilloid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 49 0.30 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TRPV1_HUMAN Q8NER1 Vanilloid Receptor, Human 48.7 0.30 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) 3.19 8.36 -19.55 3 8 0 120 479.344 6 ↓

Analogs

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Popular Name: 5-(trifluoromethyl)-2-[[7-[3-(trifluoromethyl)-2-pyridyl]-1,8-naphthyridin-4-yl]amino]pyrimidine-4-c 5-(trifluoromethyl)-2-[[7-[3-(tr…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TRPV1-1-E Vanilloid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 25 0.32 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TRPV1_HUMAN Q8NER1 Vanilloid Receptor, Human 25.4 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) 4.12 11.63 -17.33 1 7 0 100 461.329 5 ↓

Analogs

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Popular Name: 3-(trifluoromethyl)-2-[5-[[5-(trifluoromethyl)-2-pyridyl]amino]-1,8-naphthyridin-2-yl]pyridine-4-car 3-(trifluoromethyl)-2-[5-[[5-(tr…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TRPV1-1-E Vanilloid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 13 0.32 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TRPV1_HUMAN Q8NER1 Vanilloid Receptor, Human 13 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) 3.61 7.37 -27.83 3 7 0 107 478.356 6 ↓

Analogs

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Popular Name: 4-(trifluoromethyl)-N-[7-[3-(trifluoromethyl)-2-pyridyl]-1,8-naphthyridin-4-yl]thiazol-2-amine 4-(trifluoromethyl)-N-[7-[3-(tri…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TRPV1-1-E Vanilloid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 47 0.34 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TRPV1_HUMAN Q8NER1 Vanilloid Receptor, Human 47 0.34 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) 5.05 9.29 -16.51 1 5 0 64 441.36 5 ↓
Lo Low (pH 4.5-6) 5.05 9.75 -40.04 2 5 1 65 442.368 5 ↓

Analogs

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Popular Name: N-[5-(trifluoromethyl)-2-pyridyl]-7-[5-(trifluoromethyl)pyrimidin-4-yl]-1,8-naphthyridin-4-amine N-[5-(trifluoromethyl)-2-pyridyl…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TRPV1-1-E Vanilloid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 134 0.31 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TRPV1_HUMAN Q8NER1 Vanilloid Receptor, Human 134 0.31 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) 3.99 10.93 -15.57 1 6 0 76 436.319 5 ↓

Analogs

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Popular Name: 7-[3-(trifluoromethyl)-4-pyridyl]-N-[5-(trifluoromethyl)-2-pyridyl]-1,8-naphthyridin-4-amine 7-[3-(trifluoromethyl)-4-pyridyl…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TRPV1-1-E Vanilloid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 161 0.31 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TRPV1_HUMAN Q8NER1 Vanilloid Receptor, Human 161 0.31 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) 4.74 11.15 -20.46 1 5 0 64 435.331 5 ↓

Analogs

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Popular Name: 7-phenoxy-2,4-bis(trifluoromethyl)[1,8]naphthyridine 7-phenoxy-2,4-bis(trifluoromethy…

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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) 5.62 7.91 -8.01 0 3 0 35 358.241 4 ↓

Analogs

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Popular Name: ethyl 5-amino-1-[5,7-bis(trifluoromethyl)[1,8]naphthyridin-2-yl]-1H-pyrazole-4-carboxylate ethyl 5-amino-1-[5,7-bis(trifluo…

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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) 3.75 4.32 -8.77 2 7 0 95 419.285 6 ↓
Lo Low (pH 4.5-6) 3.75 4.39 -31.99 3 7 1 97 420.293 6 ↓
Lo Low (pH 4.5-6) 3.75 4.57 -30.41 3 7 1 97 420.293 6 ↓

Analogs

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Popular Name: 4-{[5,7-bis(trifluoromethyl)[1,8]naphthyridin-2-yl]oxy}-N,N-diethylbenzenesulfonamide 4-{[5,7-bis(trifluoromethyl)[1,8…

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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) 5.68 -0.27 -14.17 0 6 0 72 493.429 8 ↓

Analogs

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Popular Name: 4-{[5,7-bis(trifluoromethyl)[1,8]naphthyridin-2-yl]oxy}-N-(3-pyridinylmethyl)benzenesulfonamide 4-{[5,7-bis(trifluoromethyl)[1,8…

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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) 4.85 -2.81 -16.59 1 7 0 94 528.434 8 ↓

Analogs

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Popular Name: 7-(1H-pyrrol-1-yl)-2,4-bis(trifluoromethyl)[1,8]naphthyridine 7-(1H-pyrrol-1-yl)-2,4-bis(trifl…

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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) 4.54 5.03 -9.38 0 3 0 30 331.219 3 ↓
Lo Low (pH 4.5-6) 4.54 5.33 -96.62 2 3 2 33 333.235 3 ↓
Lo Low (pH 4.5-6) 4.54 5.24 -30.93 1 3 1 31 332.227 3 ↓

Analogs

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Popular Name: 7-[4-(morpholinosulfonyl)phenoxy]-2,4-bis(trifluoromethyl)[1,8]naphthyridine 7-[4-(morpholinosulfonyl)phenoxy…

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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) 4.78 -2.5 -14.79 0 7 0 81 507.412 6 ↓

Analogs

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Popular Name: 4-chloro-2-methyl-1,8-naphthyridine 4-chloro-2-methyl-1,8-naphthyridine

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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) 2.39 4.98 -9.31 0 2 0 26 178.622 0 ↓

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Popular Name: (3R)-7-methyl-4-oxo-N-(p-tolyl)-3H-1,8-naphthyridine-3-carboxamide (3R)-7-methyl-4-oxo-N-(p-tolyl)-…

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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) 2.43 6.69 -53.46 1 5 -1 78 292.318 2 ↓
Mid Mid (pH 6-8) 1.97 7.04 -12.43 2 5 0 75 293.326 2 ↓

Analogs

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Popular Name: N-(2-furylmethyl)-N-[(1S)-1-(hydroxymethyl)propyl]-2-methyl-1,8-naphthyridine-3-carboxamide N-(2-furylmethyl)-N-[(1S)-1-(hyd…

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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) 1.57 5.99 -16.5 1 6 0 79 339.395 6 ↓

Analogs

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Popular Name: N-(2-furylmethyl)-N-[(1R)-1-(hydroxymethyl)propyl]-2-methyl-1,8-naphthyridine-3-carboxamide N-(2-furylmethyl)-N-[(1R)-1-(hyd…

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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) 1.57 5.64 -15.06 1 6 0 79 339.395 6 ↓

Analogs

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Popular Name: methyl 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) 2.78 7.23 -13.53 1 7 0 83 353.378 6 ↓

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Popular Name: methyl 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) 5.00 11.07 -10.41 1 5 0 64 349.434 7 ↓

Analogs

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Popular Name: methyl 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) 4.32 9.37 -10.32 1 5 0 64 386.249 4 ↓

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Popular Name: propyl propyl

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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) 4.92 11.2 -9.95 1 5 0 64 349.434 7 ↓

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Popular Name: ethyl ethyl

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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) 2.63 11.05 -13.67 0 7 0 82 371.437 7 ↓

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Popular Name: ethyl ethyl

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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) 2.53 9.49 -8.74 0 5 0 55 299.374 4 ↓
Lo Low (pH 4.5-6) 2.53 9.95 -27.39 1 5 1 57 300.382 4 ↓

Analogs

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Popular Name: N-[(1R)-1-methylpropyl]-N-[(3-methyl-2-thienyl)methyl]-1,8-naphthyridine-2-carboxamide N-[(1R)-1-methylpropyl]-N-[(3-me…

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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 11.32 -9.11 0 4 0 46 339.464 5 ↓

Analogs

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Popular Name: N-[(1S)-1-methylpropyl]-N-[(3-methyl-2-thienyl)methyl]-1,8-naphthyridine-2-carboxamide N-[(1S)-1-methylpropyl]-N-[(3-me…

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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 11.17 -9.33 0 4 0 46 339.464 5 ↓

Analogs

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Popular Name: N-[(2-methoxyphenyl)methyl]-N-(3-pyridylmethyl)-1,8-naphthyridine-2-carboxamide N-[(2-methoxyphenyl)methyl]-N-(3…

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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) 2.42 11.53 -15.69 0 6 0 68 384.439 6 ↓

Analogs

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Popular Name: [(3S,4R)-3-hydroxy-4-(3-methyl-2-thienyl)-1-piperidyl]-(1,8-naphthyridin-2-yl)methanone [(3S,4R)-3-hydroxy-4-(3-methyl-2…

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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) 2.21 6.59 -13.46 1 5 0 66 353.447 2 ↓

Analogs

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Popular Name: N-[(3-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-1,8-naphthyridine-2-carboxamide N-[(3-fluorophenyl)methyl]-N-[(4…

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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) 3.85 12.01 -14.94 0 5 0 55 401.441 6 ↓

Analogs

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Popular Name: N-[2-[(1S)-1,2-dimethylpropyl]pyrazol-3-yl]-2-methyl-1,8-naphthyridine-3-carboxamide N-[2-[(1S)-1,2-dimethylpropyl]py…

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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) 2.66 8.29 -18.5 1 6 0 73 323.4 4 ↓

Analogs

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Popular Name: N-[2-[(1R)-1,2-dimethylpropyl]pyrazol-3-yl]-2-methyl-1,8-naphthyridine-3-carboxamide N-[2-[(1R)-1,2-dimethylpropyl]py…

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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) 2.66 8.29 -18.51 1 6 0 73 323.4 4 ↓

Analogs

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Popular Name: (2R,4S)-4-hydroxy-1-(2-methyl-1,8-naphthyridine-3-carbonyl)piperidine-2-carboxylic (2R,4S)-4-hydroxy-1-(2-methyl-1,…

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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) -2.15 4.97 -68.34 1 7 -1 106 314.321 2 ↓

Analogs

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Popular Name: 2-methyl-N-propyl-N-(3-pyridylmethyl)-1,8-naphthyridine-3-carboxamide 2-methyl-N-propyl-N-(3-pyridylme…

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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) 1.72 8.36 -18.02 0 5 0 59 320.396 5 ↓
Lo Low (pH 4.5-6) 1.72 8.83 -46.42 1 5 1 60 321.404 5 ↓

Analogs

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Popular Name: (4-cyclobutylpiperazin-1-yl)-(4-hydroxy-7-methyl-1,8-naphthyridin-3-yl)methanone (4-cyclobutylpiperazin-1-yl)-(4-…

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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) 0.61 6.98 -62.25 1 6 0 74 326.4 2 ↓
Mid Mid (pH 6-8) 0.15 7.95 -49.93 2 6 1 70 327.408 2 ↓
Mid Mid (pH 6-8) 0.61 4.78 -51.59 0 6 -1 72 325.392 2 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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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 = 14283 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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