UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (3S)-8-(cyclopropanecarbonyl)-N-isopropyl-4-(4-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-car (3S)-8-(cyclopropanecarbonyl)-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) 1.24 5.07 -18.91 1 8 0 88 429.517 5 ↓

Analogs

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Popular Name: (3R)-8-(cyclopropanecarbonyl)-N-isopropyl-4-(4-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-car (3R)-8-(cyclopropanecarbonyl)-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) 1.24 5.19 -19.55 1 8 0 88 429.517 5 ↓

Analogs

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Popular Name: (3S)-8-(cyclopropanecarbonyl)-4-(4-methoxybenzoyl)-N-[(1R)-1-methylpropyl]-1-oxa-4,8-diazaspiro[4.5] (3S)-8-(cyclopropanecarbonyl)-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) 1.78 5.86 -16.95 1 8 0 88 443.544 6 ↓

Analogs

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Popular Name: (3S)-8-(cyclopropanecarbonyl)-4-(4-methoxybenzoyl)-N-[(1S)-1-methylpropyl]-1-oxa-4,8-diazaspiro[4.5] (3S)-8-(cyclopropanecarbonyl)-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) 1.78 5.94 -18.88 1 8 0 88 443.544 6 ↓

Analogs

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Popular Name: (3R)-8-(cyclopropanecarbonyl)-4-(4-methoxybenzoyl)-N-[(1R)-1-methylpropyl]-1-oxa-4,8-diazaspiro[4.5] (3R)-8-(cyclopropanecarbonyl)-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) 1.78 5.62 -18.78 1 8 0 88 443.544 6 ↓

Analogs

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Popular Name: (3R)-8-(cyclopropanecarbonyl)-4-(4-methoxybenzoyl)-N-[(1S)-1-methylpropyl]-1-oxa-4,8-diazaspiro[4.5] (3R)-8-(cyclopropanecarbonyl)-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) 1.78 5.88 -19.12 1 8 0 88 443.544 6 ↓

Analogs

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Popular Name: (3S)-8-(cyclopropanecarbonyl)-4-(2-methylbenzoyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxa (3S)-8-(cyclopropanecarbonyl)-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) 1.79 6.51 -18.58 1 7 0 79 413.518 5 ↓

Analogs

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Popular Name: (3R)-8-(cyclopropanecarbonyl)-4-(2-methylbenzoyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxa (3R)-8-(cyclopropanecarbonyl)-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) 1.79 6.59 -15 1 7 0 79 413.518 5 ↓

Analogs

6776822
6776822
6776821
6776821

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Popular Name: (3S)-8-(cyclopropanecarbonyl)-4-(4-methylbenzoyl)-N-[(1R)-1-methylpropyl]-1-oxa-4,8-diazaspiro[4.5]d (3S)-8-(cyclopropanecarbonyl)-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) 2.17 7.23 -16.76 1 7 0 79 427.545 5 ↓

Analogs

6776822
6776822
6776821
6776821

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Popular Name: (3S)-8-(cyclopropanecarbonyl)-4-(4-methylbenzoyl)-N-[(1S)-1-methylpropyl]-1-oxa-4,8-diazaspiro[4.5]d (3S)-8-(cyclopropanecarbonyl)-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) 2.17 7.29 -16.64 1 7 0 79 427.545 5 ↓

Analogs

6776822
6776822
6776821
6776821

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Popular Name: (3R)-8-(cyclopropanecarbonyl)-4-(4-methylbenzoyl)-N-[(1R)-1-methylpropyl]-1-oxa-4,8-diazaspiro[4.5]d (3R)-8-(cyclopropanecarbonyl)-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) 2.17 6.97 -18.81 1 7 0 79 427.545 5 ↓

Analogs

6776822
6776822
6776821
6776821

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-8-(cyclopropanecarbonyl)-4-(4-methylbenzoyl)-N-[(1S)-1-methylpropyl]-1-oxa-4,8-diazaspiro[4.5]d (3R)-8-(cyclopropanecarbonyl)-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) 2.17 7.15 -19.21 1 7 0 79 427.545 5 ↓

Analogs

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Popular Name: (3S)-8-(cyclopropanecarbonyl)-N-isobutyl-4-(3-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carb (3S)-8-(cyclopropanecarbonyl)-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) 1.67 6.01 -19.43 1 8 0 88 443.544 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-8-(cyclopropanecarbonyl)-N-isobutyl-4-(3-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carb (3R)-8-(cyclopropanecarbonyl)-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) 1.67 5.91 -19.54 1 8 0 88 443.544 6 ↓

Parameters Provided:

ring.id = 21021
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 = 21021 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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