UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4148602
4148602

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Popular Name: 6-chloro-3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dihydropyrido[3,2-h][1,3]benzoxazine 6-chloro-3-[2-(3,4-dimethoxyphen…

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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) 3.92 6.3 -13.66 0 5 0 44 384.863 5 ↓

Analogs

4123453
4123453

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Popular Name: 6-chloro-3-(3-pyridylmethyl)-2,4-dihydropyrido[3,2-h][1,3]benzoxazine 6-chloro-3-(3-pyridylmethyl)-2,4…

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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) 2.63 4.74 -11.89 0 4 0 38 311.772 2 ↓

Analogs

19863923
19863923
4148603
4148603
4148604
4148604

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Popular Name: 6-chloro-3-[(1R)-1-phenylethyl]-2,4-dihydropyrido[3,2-h][1,3]benzoxazine 6-chloro-3-[(1R)-1-phenylethyl]-…

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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) 4.42 7.56 -8.8 0 3 0 25 324.811 2 ↓

Analogs

4148603
4148603
4148604
4148604
19863918
19863918

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Popular Name: 6-chloro-3-[(1S)-1-phenylethyl]-2,4-dihydropyrido[3,2-h][1,3]benzoxazine 6-chloro-3-[(1S)-1-phenylethyl]-…

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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) 4.42 7.55 -8.62 0 3 0 25 324.811 2 ↓

Analogs

19358593
19358593

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Popular Name: chloro-phenethyl-BLAH chloro-phenethyl-BLAH

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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) 4.27 0.28 -47.54 1 3 1 26 325.819 3 ↓
Lo Low (pH 4.5-6) 4.27 0.48 -99.24 2 3 2 27 326.827 3 ↓

Analogs

4003704
4003704

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Popular Name: 6-chloro-3-(2,2,6,6-tetramethyl-4-piperidyl)-2,4-dihydropyrido[3,2-h][1,3]benzoxazine 6-chloro-3-(2,2,6,6-tetramethyl-…

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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) 4.26 5.7 -41.7 2 4 1 42 360.909 1 ↓

Parameters Provided:

ring.id = 52602
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 = 52602 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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