UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

1846261
1846261

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Popular Name: azepam azepam

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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) 2.69 -0.73 -11.18 2 5 0 66 329.787 1 ↓

Analogs

3831250
3831250
3831251
3831251
11616205
11616205
40017479
40017479
40163458
40163458

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Popular Name: (2S,11bR)-10-chloro-2-methyl-11b-phenyl-3,4,5,7-tetrahydro-2H-oxazolo[3,2-d][1,4]benzodiazepin-4-ium (2S,11bR)-10-chloro-2-methyl-11b…

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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) 3.80 -0.67 -36.28 2 4 1 42 329.807 1 ↓

Analogs

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Popular Name: (5S)-4-(2-ethyl-4-methyl-oxazole-5-carbonyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one (5S)-4-(2-ethyl-4-methyl-oxazole…

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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) 3.46 6.86 -12.59 1 6 0 75 375.428 3 ↓

Analogs

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Popular Name: (5R)-4-(2-ethyl-4-methyl-oxazole-5-carbonyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one (5R)-4-(2-ethyl-4-methyl-oxazole…

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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) 3.46 6.76 -12.89 1 6 0 75 375.428 3 ↓

Analogs

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Popular Name: (5S)-N,7-dimethyl-2-oxo-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepine-4-carbothioamide (5S)-N,7-dimethyl-2-oxo-5-phenyl…

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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) 3.49 8.5 -15.6 2 4 0 44 325.437 3 ↓

Analogs

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Popular Name: (5R)-N,7-dimethyl-2-oxo-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepine-4-carbothioamide (5R)-N,7-dimethyl-2-oxo-5-phenyl…

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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) 3.49 8.49 -14.71 2 4 0 44 325.437 3 ↓

Analogs

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Popular Name: USAN) USAN)

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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) 3.40 8.26 -6.87 0 3 0 24 312.8 0 ↓

Parameters Provided:

ring.id = 104
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 = 104 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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