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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

5813183
5813183
5813373
5813373

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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) 1.72 2.69 -10.46 2 5 0 68 277.349 2 ↓
Mid Mid (pH 6-8) 1.72 3.05 -33.74 3 5 1 70 278.357 2 ↓

Analogs

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Popular Name: [3-amino-6-methyl-4-(2-thienyl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridin-2-yl](1,3-benzodioxol-5-yl)methanone [3-amino-6-methyl-4-(2-thienyl)-…

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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) 4.74 6.88 -11.04 2 6 0 78 449.557 3 ↓
Mid Mid (pH 6-8) 4.74 7.24 -33.32 3 6 1 79 450.565 3 ↓

Analogs

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Popular Name: (amino-methyl-BLAHyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone (amino-methyl-BLAHyl)-(2,3-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) 2.85 4.51 -12.8 2 6 0 78 381.457 2 ↓
Mid Mid (pH 6-8) 2.85 4.87 -38.01 3 6 1 79 382.465 2 ↓

Analogs

19683216
19683216

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Popular Name: 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-6-isopropyl-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide 3-amino-N-(1,3-benzodioxol-5-ylm…

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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) 3.04 4.16 -12.24 3 7 0 90 424.526 4 ↓
Mid Mid (pH 6-8) 3.04 4.52 -36.97 4 7 1 91 425.534 4 ↓
Lo Low (pH 4.5-6) 3.04 -4.49 -109.31 5 7 2 92 426.542 4 ↓

Analogs

12411965
12411965

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Popular Name: amino-isopropyl-N-[4-(trifluoromethyl)phenyl]BLAHcarboxamide amino-isopropyl-N-[4-(trifluorom…

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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) 4.34 6.42 -10.09 3 5 0 71 434.487 4 ↓
Mid Mid (pH 6-8) 4.34 6.78 -38.22 4 5 1 72 435.495 4 ↓
Lo Low (pH 4.5-6) 4.34 -0.67 -110.86 5 5 2 74 436.503 4 ↓

Analogs

19691703
19691703

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Popular Name: 3-amino-6-isopropyl-N-[4-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide 3-amino-6-isopropyl-N-[4-(triflu…

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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 5.21 -9.48 3 6 0 80 450.486 5 ↓
Mid Mid (pH 6-8) 4.42 5.57 -37.12 4 6 1 82 451.494 5 ↓
Lo Low (pH 4.5-6) 4.42 -1.31 -109.64 5 6 2 83 452.502 5 ↓

Analogs

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Popular Name: (4-cyclopropyl-2,3-dimethyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-6-yl)-(3-furyl)methanone (4-cyclopropyl-2,3-dimethyl-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) 2.62 9.17 -31.26 1 4 1 48 353.467 2 ↓
Mid Mid (pH 6-8) 2.62 8.78 -14.91 0 4 0 46 352.459 2 ↓

Parameters Provided:

ring.id = 24001
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 = 24001 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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