UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanyl-N-[4-(3-nitrophenyl)thiazol-2-yl]acetamide 2-(3-butyl-4-oxo-quinazolin-2-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) 4.87 13.08 -21.75 1 9 0 123 495.586 9 ↓
Hi High (pH 8-9.5) 5.06 12.02 -45.74 0 9 -1 129 494.578 9 ↓

Analogs

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Popular Name: N-[4-(3-nitrophenyl)thiazol-2-yl]-2-(4-oxo-3-propyl-quinazolin-2-yl)sulfanyl-acetamide N-[4-(3-nitrophenyl)thiazol-2-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) 4.32 12.31 -21.81 1 9 0 123 481.559 8 ↓
Hi High (pH 8-9.5) 4.50 11.24 -45.8 0 9 -1 129 480.551 8 ↓

Analogs

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Popular Name: 2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-N-[4-(3-nitrophenyl)thiazol-2-yl]acetamide 2-(3-allyl-4-oxo-quinazolin-2-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) 4.08 12.12 -21.77 1 9 0 123 479.543 8 ↓
Hi High (pH 8-9.5) 4.27 11.06 -46.12 0 9 -1 129 478.535 8 ↓

Analogs

36636967
36636967

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Popular Name: (2S)-N-[4-(3,4-difluorophenyl)thiazol-2-yl]-2-(3-ethyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide (2S)-N-[4-(3,4-difluorophenyl)th…

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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) 4.50 11.88 -16.53 1 6 0 77 472.542 6 ↓

Analogs

36636965
36636965

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Popular Name: (2R)-N-[4-(3,4-difluorophenyl)thiazol-2-yl]-2-(3-ethyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide (2R)-N-[4-(3,4-difluorophenyl)th…

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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) 4.50 11.88 -16.54 1 6 0 77 472.542 6 ↓

Analogs

36640387
36640387

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Popular Name: (2S)-N-[4-(3-nitrophenyl)thiazol-2-yl]-2-(4-oxo-3-propyl-quinazolin-2-yl)sulfanyl-propanamide (2S)-N-[4-(3-nitrophenyl)thiazol…

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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 13.21 -19.76 1 9 0 123 495.586 8 ↓
Hi High (pH 8-9.5) 4.86 11.45 -46.27 0 9 -1 129 494.578 8 ↓

Analogs

36640385
36640385

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Popular Name: (2R)-N-[4-(3-nitrophenyl)thiazol-2-yl]-2-(4-oxo-3-propyl-quinazolin-2-yl)sulfanyl-propanamide (2R)-N-[4-(3-nitrophenyl)thiazol…

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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 13.21 -19.78 1 9 0 123 495.586 8 ↓
Hi High (pH 8-9.5) 4.86 11.45 -46.25 0 9 -1 129 494.578 8 ↓

Analogs

36640605
36640605

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Popular Name: (2S)-2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-N-[4-(3-nitrophenyl)thiazol-2-yl]propanamide (2S)-2-(3-allyl-4-oxo-quinazolin…

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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) 4.44 13.02 -19.65 1 9 0 123 493.57 8 ↓
Hi High (pH 8-9.5) 4.63 11.27 -46.61 0 9 -1 129 492.562 8 ↓

Analogs

36640603
36640603

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Popular Name: (2R)-2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-N-[4-(3-nitrophenyl)thiazol-2-yl]propanamide (2R)-2-(3-allyl-4-oxo-quinazolin…

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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) 4.44 13.02 -19.66 1 9 0 123 493.57 8 ↓
Hi High (pH 8-9.5) 4.63 11.27 -46.66 0 9 -1 129 492.562 8 ↓

Analogs

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Popular Name: N-[4-(4-ethylphenyl)thiazol-2-yl]-2-[3-(3-methoxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide N-[4-(4-ethylphenyl)thiazol-2-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) 4.67 12.14 -17.96 1 7 0 86 494.642 10 ↓
Hi High (pH 8-9.5) 4.86 11.08 -43.45 0 7 -1 92 493.634 10 ↓

Analogs

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Popular Name: (2S)-2-[3-(3-methoxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(4-phenylthiazol-2-yl)propanamide (2S)-2-[3-(3-methoxypropyl)-4-ox…

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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 11.67 -17.28 1 7 0 86 480.615 9 ↓

Analogs

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Popular Name: (2R)-2-[3-(3-methoxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(4-phenylthiazol-2-yl)propanamide (2R)-2-[3-(3-methoxypropyl)-4-ox…

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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 11.66 -17.27 1 7 0 86 480.615 9 ↓

Parameters Provided:

ring.id = 75444
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 = 75444 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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