UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

13684449
13684449
9051268
9051268

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Popular Name: 9-(2-methoxyethyl)-4-(2-oxochromen-3-yl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 9-(2-methoxyethyl)-4-(2-oxochrom…

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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) 3.34 8.07 -16.81 0 7 0 82 405.406 4 ↓
Lo Low (pH 4.5-6) 3.34 10.95 -46.5 1 7 1 83 406.414 4 ↓

Analogs

12442397
12442397
6661646
6661646
6940501
6940501

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Popular Name: 9-isopropyl-4-(2-oxochromen-3-yl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 9-isopropyl-4-(2-oxochromen-3-yl…

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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) 4.03 9.32 -14.55 0 6 0 73 389.407 2 ↓
Mid Mid (pH 6-8) 4.03 12.3 -43.36 1 6 1 74 390.415 2 ↓

Analogs

12442405
12442405
12442407
12442407

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Popular Name: 9-(3-methoxypropyl)-4-(2-oxochromen-3-yl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 9-(3-methoxypropyl)-4-(2-oxochro…

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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 8.76 -15.95 0 7 0 82 419.433 5 ↓
Mid Mid (pH 6-8) 3.61 11.62 -48.88 1 7 1 83 420.441 5 ↓

Analogs

12442387
12442387
12442391
12442391
12442405
12442405

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Popular Name: 9-isobutyl-4-(2-oxochromen-3-yl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 9-isobutyl-4-(2-oxochromen-3-yl)…

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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) 4.48 10.7 -14.77 0 6 0 73 403.434 3 ↓
Mid Mid (pH 6-8) 4.48 13.23 -45.29 1 6 1 74 404.442 3 ↓

Analogs

13684449
13684449
13721459
13721459

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Popular Name: 4-(6-chloro-2-oxo-chromen-3-yl)-9-(2-methoxyethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 4-(6-chloro-2-oxo-chromen-3-yl)-…

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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) 3.99 8.59 -14.98 0 7 0 82 439.851 4 ↓
Lo Low (pH 4.5-6) 3.99 11.47 -45.36 1 7 1 83 440.859 4 ↓

Analogs

13728954
13728954

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Popular Name: 4-(6-chloro-2-oxo-chromen-3-yl)-9-isopropyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 4-(6-chloro-2-oxo-chromen-3-yl)-…

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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) 4.68 9.82 -12.73 0 6 0 73 423.852 2 ↓
Mid Mid (pH 6-8) 4.68 12.82 -42.2 1 6 1 74 424.86 2 ↓

Analogs

12442405
12442405
12442407
12442407

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Popular Name: 4-(6-chloro-2-oxo-chromen-3-yl)-9-(3-methoxypropyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 4-(6-chloro-2-oxo-chromen-3-yl)-…

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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) 4.26 9.26 -14.07 0 7 0 82 453.878 5 ↓
Mid Mid (pH 6-8) 4.26 12.14 -47.72 1 7 1 83 454.886 5 ↓

Analogs

13728954
13728954
12442387
12442387
13721459
13721459

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Popular Name: 4-(6-chloro-2-oxo-chromen-3-yl)-9-isobutyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 4-(6-chloro-2-oxo-chromen-3-yl)-…

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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) 5.13 11.24 -12.48 0 6 0 73 437.879 3 ↓
Mid Mid (pH 6-8) 5.13 13.75 -44.18 1 6 1 74 438.887 3 ↓

Analogs

13684449
13684449
9051268
9051268
20611317
20611317

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Popular Name: 4-(6-bromo-2-oxo-chromen-3-yl)-9-(2-methoxyethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 4-(6-bromo-2-oxo-chromen-3-yl)-9…

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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) 4.12 8.68 -14.71 0 7 0 82 484.302 4 ↓
Lo Low (pH 4.5-6) 4.12 11.56 -45.13 1 7 1 83 485.31 4 ↓

Analogs

12442397
12442397
6661646
6661646
12442387
12442387

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Popular Name: 4-(6-bromo-2-oxo-chromen-3-yl)-9-isopropyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 4-(6-bromo-2-oxo-chromen-3-yl)-9…

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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) 4.81 9.92 -12.58 0 6 0 73 468.303 2 ↓
Mid Mid (pH 6-8) 4.81 12.9 -42.14 1 6 1 74 469.311 2 ↓

Analogs

12442405
12442405
12442407
12442407

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Popular Name: 4-(6-bromo-2-oxo-chromen-3-yl)-9-(3-methoxypropyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 4-(6-bromo-2-oxo-chromen-3-yl)-9…

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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) 4.39 9.37 -13.89 0 7 0 82 498.329 5 ↓
Mid Mid (pH 6-8) 4.39 12.24 -47.57 1 7 1 83 499.337 5 ↓

Analogs

12442405
12442405
12442407
12442407

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Popular Name: 4-(6-bromo-2-oxo-chromen-3-yl)-9-isobutyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 4-(6-bromo-2-oxo-chromen-3-yl)-9…

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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) 5.26 11.34 -12.33 0 6 0 73 482.33 3 ↓
Mid Mid (pH 6-8) 5.26 13.85 -44.07 1 6 1 74 483.338 3 ↓

Analogs

13684449
13684449
9051268
9051268
12442462
12442462

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Popular Name: 9-(2-methoxyethyl)-4-(8-methoxy-2-oxo-chromen-3-yl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 9-(2-methoxyethyl)-4-(8-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) 3.35 7.77 -20.08 0 8 0 91 435.432 5 ↓
Lo Low (pH 4.5-6) 3.35 10.66 -49.84 1 8 1 93 436.44 5 ↓

Analogs

12442387
12442387
12442391
12442391
12442397
12442397

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Popular Name: 9-isopropyl-4-(8-methoxy-2-oxo-chromen-3-yl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 9-isopropyl-4-(8-methoxy-2-oxo-c…

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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 9.01 -17.87 0 7 0 82 419.433 3 ↓
Mid Mid (pH 6-8) 4.04 12 -46.67 1 7 1 83 420.441 3 ↓

Analogs

12442405
12442405
12442407
12442407

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Popular Name: 4-(8-methoxy-2-oxo-chromen-3-yl)-9-(3-methoxypropyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 4-(8-methoxy-2-oxo-chromen-3-yl)…

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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) 3.62 8.46 -19.2 0 8 0 91 449.459 6 ↓
Mid Mid (pH 6-8) 3.62 11.33 -52.18 1 8 1 93 450.467 6 ↓

Analogs

12442387
12442387
12442391
12442391
12442405
12442405

Draw Identity 99% 90% 80% 70%

Popular Name: 9-isobutyl-4-(8-methoxy-2-oxo-chromen-3-yl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 9-isobutyl-4-(8-methoxy-2-oxo-ch…

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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) 4.49 10.43 -17.66 0 7 0 82 433.46 4 ↓
Mid Mid (pH 6-8) 4.49 12.94 -49.65 1 7 1 83 434.468 4 ↓

Analogs

13684449
13684449
9051268
9051268
12442462
12442462

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Popular Name: 4-(8-ethoxy-2-oxo-chromen-3-yl)-9-(2-methoxyethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 4-(8-ethoxy-2-oxo-chromen-3-yl)-…

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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 8.69 -20.04 0 8 0 91 449.459 6 ↓
Lo Low (pH 4.5-6) 3.72 11.57 -49.82 1 8 1 93 450.467 6 ↓

Analogs

12442387
12442387
12442391
12442391
12442397
12442397

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Popular Name: 4-(8-ethoxy-2-oxo-chromen-3-yl)-9-isopropyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 4-(8-ethoxy-2-oxo-chromen-3-yl)-…

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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) 4.41 9.94 -17.84 0 7 0 82 433.46 4 ↓
Mid Mid (pH 6-8) 4.41 12.91 -46.69 1 7 1 83 434.468 4 ↓

Analogs

12442405
12442405
12442407
12442407

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Popular Name: 4-(8-ethoxy-2-oxo-chromen-3-yl)-9-(3-methoxypropyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 4-(8-ethoxy-2-oxo-chromen-3-yl)-…

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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) 3.99 9.4 -19.22 0 8 0 91 463.486 7 ↓
Mid Mid (pH 6-8) 3.99 12.25 -52.17 1 8 1 93 464.494 7 ↓

Analogs

12442405
12442405
12442407
12442407

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Popular Name: 4-(8-ethoxy-2-oxo-chromen-3-yl)-9-isobutyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 4-(8-ethoxy-2-oxo-chromen-3-yl)-…

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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) 4.86 11.36 -18.03 0 7 0 82 447.487 5 ↓
Mid Mid (pH 6-8) 4.86 13.84 -48.64 1 7 1 83 448.495 5 ↓

Parameters Provided:

ring.id = 564327
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 = 564327 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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