UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

65330457
65330457
65330458
65330458
65330459
65330459
65330462
65330462
21886872
21886872

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Popular Name: 4-(4-methoxyanilino)-N-[(1R)-1-methylpropyl]furo[3,2-c]pyridine-6-carboxamide 4-(4-methoxyanilino)-N-[(1R)-1-m…

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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) 4.20 7.25 -10.9 2 6 0 76 339.395 6 ↓

Analogs

65330457
65330457
65330458
65330458
65330459
65330459
65330462
65330462
21886872
21886872

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Popular Name: 4-(4-methoxyanilino)-N-[(1S)-1-methylpropyl]furo[3,2-c]pyridine-6-carboxamide 4-(4-methoxyanilino)-N-[(1S)-1-m…

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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) 4.20 7.25 -11 2 6 0 76 339.395 6 ↓

Analogs

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Popular Name: N-[3-(diethylamino)propyl]-4-(4-methoxyanilino)furo[3,2-c]pyridine-6-carboxamide N-[3-(diethylamino)propyl]-4-(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) 4.04 8.98 -41.37 3 7 1 81 397.499 10 ↓

Analogs

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Popular Name: 4-(4-chloroanilino)-N-(2-dimethylaminoethyl)furo[3,2-c]pyridine-6-carboxamide 4-(4-chloroanilino)-N-(2-dimethy…

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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) 3.64 8.01 -42.16 3 6 1 72 359.837 6 ↓
Hi High (pH 8-9.5) 3.64 5.54 -9.97 2 6 0 70 358.829 6 ↓

Analogs

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Popular Name: N-(2-dimethylaminoethyl)-4-(4-fluoroanilino)furo[3,2-c]pyridine-6-carboxamide N-(2-dimethylaminoethyl)-4-(4-fl…

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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) 3.13 7.54 -42.67 3 6 1 72 343.382 6 ↓
Hi High (pH 8-9.5) 3.13 5.07 -10.51 2 6 0 70 342.374 6 ↓

Analogs

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Popular Name: N-(2-diethylaminoethyl)-4-(4-fluoroanilino)furo[3,2-c]pyridine-6-carboxamide N-(2-diethylaminoethyl)-4-(4-flu…

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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 8.97 -40.72 3 6 1 72 371.436 8 ↓
Hi High (pH 8-9.5) 3.88 6.88 -10.37 2 6 0 70 370.428 8 ↓

Analogs

65330457
65330457
65330458
65330458

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Popular Name: 4-(4-fluoroanilino)-N-(2-methoxyethyl)furo[3,2-c]pyridine-6-carboxamide 4-(4-fluoroanilino)-N-(2-methoxy…

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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) 3.08 5.34 -11.44 2 6 0 76 329.331 6 ↓

Analogs

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Popular Name: 4-anilino-N-(2-diethylaminoethyl)furo[3,2-c]pyridine-6-carboxamide 4-anilino-N-(2-diethylaminoethyl…

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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) 3.72 8.91 -41.33 3 6 1 72 353.446 8 ↓
Hi High (pH 8-9.5) 3.72 6.83 -9.96 2 6 0 70 352.438 8 ↓

Analogs

65330457
65330457
65330458
65330458
65330459
65330459
65330462
65330462

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Popular Name: 4-anilino-N-(2-methoxyethyl)furo[3,2-c]pyridine-6-carboxamide 4-anilino-N-(2-methoxyethyl)furo…

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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) 2.92 5.27 -11.33 2 6 0 76 311.341 6 ↓

Analogs

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Popular Name: 4-(4-bromo-3-methyl-anilino)-N-(2-diethylaminoethyl)furo[3,2-c]pyridine-6-carboxamide 4-(4-bromo-3-methyl-anilino)-N-(…

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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) 4.90 10.09 -40.02 3 6 1 72 446.369 8 ↓
Hi High (pH 8-9.5) 4.90 8 -9.67 2 6 0 70 445.361 8 ↓

Analogs

35426569
35426569
35503178
35503178
35503181
35503181
35503205
35503205
35503208
35503208

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Popular Name: 4-(4-chloroanilino)-N-[(1R)-1-methylpropyl]furo[3,2-c]pyridine-6-carboxamide 4-(4-chloroanilino)-N-[(1R)-1-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) 4.82 8.48 -9.78 2 5 0 67 343.814 5 ↓

Analogs

35426569
35426569
35503178
35503178
35503181
35503181
35503205
35503205
35503208
35503208

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-chloroanilino)-N-[(1S)-1-methylpropyl]furo[3,2-c]pyridine-6-carboxamide 4-(4-chloroanilino)-N-[(1S)-1-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) 4.82 8.49 -9.82 2 5 0 67 343.814 5 ↓

Parameters Provided:

ring.id = 18522
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 = 18522 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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