UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[4-(1,4-diazepane-1-carbonyl)-2-pyridyl]acetamide N-[4-(1,4-diazepane-1-carbonyl)-…

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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) -1.26 3.88 -54.85 3 6 1 79 263.321 2 ↓
Hi High (pH 8-9.5) -1.26 2.6 -16.95 2 6 0 74 262.313 2 ↓

Analogs

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Popular Name: isobutyl isobutyl

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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) 1.42 8.71 -12.35 0 7 0 66 348.447 5 ↓

Analogs

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Popular Name: (4-ethyl-1,4-diazepan-1-yl)-(2-ethylsulfanyl-4-pyridyl)methanone (4-ethyl-1,4-diazepan-1-yl)-(2-e…

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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) 1.47 8.4 -41.84 1 4 1 38 294.444 4 ↓
Hi High (pH 8-9.5) 1.47 6.55 -9.73 0 4 0 36 293.436 4 ↓

Analogs

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Popular Name: 2,2-dimethyl-1-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]butan-1-one 2,2-dimethyl-1-[4-(pyridine-4-ca…

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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) 1.14 6.59 -15.79 0 5 0 54 303.406 3 ↓

Analogs

41678258
41678258

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Popular Name: 1-[4-(2-chloropyridine-4-carbonyl)-1,4-diazepan-1-yl]ethanone 1-[4-(2-chloropyridine-4-carbony…

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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) 0.16 5.21 -14.51 0 5 0 54 281.743 1 ↓

Parameters Provided:

ring.id = 35871
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 = 35871 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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