UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5,6,7,8-Tetrahydro-1,8-naphthyridine-2-methanamine 5,6,7,8-Tetrahydro-1,8-naphthyri…

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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) 0.66 1.5 -41.44 4 3 1 53 164.232 1 ↓
Hi High (pH 8-9.5) 0.66 1.09 -6.25 3 3 0 51 163.224 1 ↓
Mid Mid (pH 6-8) 0.66 1.53 -24.07 4 3 1 52 164.232 1 ↓

Analogs

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Popular Name: 1-(6-Fluoro-3,4-dihydro-1,8-naphthyridin-1(2H)-yl)-2,2-dimethylpropan-1-one 1-(6-Fluoro-3,4-dihydro-1,8-naph…

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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) 2.98 7.33 -13.86 0 3 0 33 236.29 1 ↓

Analogs

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Popular Name: 8-Pivaloyl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carbonitrile 8-Pivaloyl-5,6,7,8-tetrahydro-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) 2.41 7.66 -14.59 0 4 0 57 243.31 1 ↓

Analogs

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Popular Name: 1-(6-(3-Hydroxypropyl)-3,4-dihydro-1,8-naphthyridin-1(2H)-yl)-2,2-dimethylpropan-1-one 1-(6-(3-Hydroxypropyl)-3,4-dihyd…

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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) 2.72 6.1 -17.03 1 4 0 53 276.38 4 ↓

Analogs

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Popular Name: (E)-Methyl 3-(8-pivaloyl-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylate (E)-Methyl 3-(8-pivaloyl-5,6,7,8…

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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) 3.06 9.15 -16.56 0 5 0 60 302.374 4 ↓

Analogs

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Popular Name: (3S,4R)-1-tert-butyl 3-methyl 4-(8-pivaloyl-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)pyrrolidine-1,3-dicarboxylate (3S,4R)-1-tert-butyl 3-methyl 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) 3.78 11.37 -18.42 0 8 0 89 445.56 6 ↓

Analogs

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Popular Name: Ethyl 3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoate Ethyl 3-(5,6,7,8-tetrahydro-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) 1.86 7.05 -29.58 2 4 1 52 235.307 5 ↓
Hi High (pH 8-9.5) 1.86 6.67 -7 1 4 0 51 234.299 5 ↓

Analogs

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Popular Name: tert-Butyl 7-(3-ethoxy-3-oxopropyl)-3,4-dihydro-1,8-naphthyridine-1(2H)-carboxylate tert-Butyl 7-(3-ethoxy-3-oxoprop…

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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) 3.14 10.81 -29.67 1 6 1 70 335.424 7 ↓
Mid Mid (pH 6-8) 3.14 10.82 -10.66 0 6 0 69 334.416 7 ↓

Analogs

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Popular Name: 1-BOC-7-(2-HYDROXYETHYL)-3,4-DIHYDRO-1,8-NAPHTHYRIDINE 1-BOC-7-(2-HYDROXYETHYL)-3,4-DIH…

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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) 2.30 5.75 -10.19 1 5 0 63 278.352 4 ↓
Mid Mid (pH 6-8) 2.30 5.75 -26.34 2 5 1 64 279.36 4 ↓

Analogs

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Popular Name: tert-butyl tert-butyl

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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 5.08 -31.28 3 5 1 64 278.376 5 ↓
Mid Mid (pH 6-8) 2.48 4.7 -9.98 2 5 0 63 277.368 5 ↓

Analogs

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Popular Name: (3S)-3-(2,3-dihydrofuro[3,2-b]pyridin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic (3S)-3-(2,3-dihydrofuro[3,2-b]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) 2.36 11.81 -63.54 2 6 0 88 409.53 10 ↓
Hi High (pH 8-9.5) 2.36 11.44 -54.38 1 6 -1 87 408.522 10 ↓
Lo Low (pH 4.5-6) 2.36 10.54 -65.36 4 6 2 87 411.546 10 ↓

Analogs

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Popular Name: (3R)-3-(2,3-dihydrofuro[3,2-b]pyridin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic (3R)-3-(2,3-dihydrofuro[3,2-b]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) 2.36 11.95 -64.92 2 6 0 88 409.53 10 ↓
Hi High (pH 8-9.5) 2.36 11.58 -54.84 1 6 -1 87 408.522 10 ↓
Lo Low (pH 4.5-6) 2.36 12.22 -70.68 3 6 1 90 410.538 10 ↓

Parameters Provided:

ring.id = 376347
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 = 376347 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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