UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

14957704
14957704

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Popular Name: 4-propyl-1-[2-[3-(trifluoromethyl)phenyl]acetyl]-1,4-diazepan-5-one 4-propyl-1-[2-[3-(trifluoromethy…

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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) 2.70 2.81 -14.3 0 4 0 41 342.361 5 ↓

Analogs

12218419
12218419

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Popular Name: 4-isobutyl-1-[(2R)-2-methoxy-2-phenyl-acetyl]-1,4-diazepan-5-one 4-isobutyl-1-[(2R)-2-methoxy-2-p…

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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) 1.84 0.85 -12.43 0 5 0 50 318.417 5 ↓

Analogs

12218418
12218418

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Popular Name: 4-isobutyl-1-[(2S)-2-methoxy-2-phenyl-acetyl]-1,4-diazepan-5-one 4-isobutyl-1-[(2S)-2-methoxy-2-p…

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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) 1.84 0.89 -12.66 0 5 0 50 318.417 5 ↓

Analogs

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Popular Name: 4-allyl-1-[2-[3-(trifluoromethyl)phenyl]acetyl]-1,4-diazepan-5-one 4-allyl-1-[2-[3-(trifluoromethyl…

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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) 2.47 3.19 -14.29 0 4 0 41 340.345 5 ↓

Analogs

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Popular Name: (7R)-1-[2-(3-methoxyphenyl)acetyl]-7-(trifluoromethyl)-1,4-diazepan-5-one (7R)-1-[2-(3-methoxyphenyl)acety…

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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) 2.87 4.38 -19.71 1 5 0 59 330.306 4 ↓

Analogs

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Popular Name: (7S)-1-[2-(3-methoxyphenyl)acetyl]-7-(trifluoromethyl)-1,4-diazepan-5-one (7S)-1-[2-(3-methoxyphenyl)acety…

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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) 2.87 4.35 -19.11 1 5 0 59 330.306 4 ↓

Parameters Provided:

ring.id = 86997
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 = 86997 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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