UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (7R)-7-methyl-1-(3-pyridylmethyl)-1,4-diazepane (7R)-7-methyl-1-(3-pyridylmethyl…

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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) 0.40 3.67 -32.55 2 3 1 29 206.313 2 ↓
Lo Low (pH 4.5-6) 0.40 2.91 -38.17 2 3 1 33 206.313 2 ↓

Analogs

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Popular Name: (7S)-7-methyl-1-(3-pyridylmethyl)-1,4-diazepane (7S)-7-methyl-1-(3-pyridylmethyl…

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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) 0.40 3.63 -35.83 2 3 1 29 206.313 2 ↓
Lo Low (pH 4.5-6) 0.40 2.98 -39.35 2 3 1 33 206.313 2 ↓

Analogs

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Popular Name: 2,2-dimethyl-1-[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]propan-1-one 2,2-dimethyl-1-[4-(3-pyridylmeth…

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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) 1.69 7.89 -45.59 1 4 1 38 276.404 3 ↓
Mid Mid (pH 6-8) 1.69 6 -9.89 0 4 0 36 275.396 3 ↓

Parameters Provided:

ring.id = 27693
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 = 27693 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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