UCSF
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Analogs

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Popular Name: (3aS)-7,8-dimethyl-5-(m-tolylmethyl)-1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepin-4-one (3aS)-7,8-dimethyl-5-(m-tolylmet…

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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) 5.06 11.64 -13.54 1 3 0 38 332.447 2 ↓

Analogs

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Popular Name: (3aR)-5-[(2-chlorophenyl)methyl]-7,8-dimethyl-1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepin-4-o (3aR)-5-[(2-chlorophenyl)methyl]…

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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) 5.26 11.41 -12.79 1 3 0 38 352.865 2 ↓

Analogs

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Popular Name: (3aR)-5-[(4-chlorophenyl)methyl]-7,8-dimethyl-1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepin-4-o (3aR)-5-[(4-chlorophenyl)methyl]…

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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) 5.31 11.51 -11.87 1 3 0 38 352.865 2 ↓

Analogs

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Popular Name: (3aR)-5-[(3-methoxyphenyl)methyl]-7,8-dimethyl-1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepin-4- (3aR)-5-[(3-methoxyphenyl)methyl…

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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) 4.67 10.29 -16.5 1 4 0 47 348.446 3 ↓

Analogs

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Popular Name: (3aR)-5-[(2-chloro-6-fluoro-phenyl)methyl]-7,8-dimethyl-1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodi (3aR)-5-[(2-chloro-6-fluoro-phen…

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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) 5.38 11.42 -11.83 1 3 0 38 370.855 2 ↓

Analogs

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Popular Name: (3aS)-5-[(3-bromophenyl)methyl]-1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepin-4-one (3aS)-5-[(3-bromophenyl)methyl]-…

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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) 4.62 10.38 -14.33 1 3 0 38 369.262 2 ↓

Parameters Provided:

ring.id = 567939
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 = 567939 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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