UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

684651
684651

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Popular Name: 1-[methylsulfanyl-(5-methyl-2-thienyl)-BLAHyl]butan-1-one 1-[methylsulfanyl-(5-methyl-2-th…

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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) 4.16 -1.78 -13.76 0 6 0 68 412.54 4 ↓

Analogs

684651
684651

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Popular Name: 1-[methylsulfanyl-(5-methyl-2-thienyl)-BLAHyl]butan-1-one 1-[methylsulfanyl-(5-methyl-2-th…

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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) 4.16 -1.78 -13.76 0 6 0 68 412.54 4 ↓

Analogs

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Popular Name: 3-(pentylsulfanyl)-6-(2-thienyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine 3-(pentylsulfanyl)-6-(2-thienyl)…

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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) 5.55 -4.4 -8.02 1 5 0 59 384.53 6 ↓

Analogs

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Popular Name: 3-(pentylsulfanyl)-6-(2-thienyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine 3-(pentylsulfanyl)-6-(2-thienyl)…

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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) 5.55 -4.4 -8.01 1 5 0 59 384.53 6 ↓

Analogs

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Popular Name: (6R)-3-(amylthio)-6-(3-methyl-2-thienyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine (6R)-3-(amylthio)-6-(3-methyl-2-…

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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) 5.93 -4.24 -8.28 1 5 0 59 398.557 6 ↓

Analogs

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Popular Name: (6S)-3-(amylthio)-6-(3-methyl-2-thienyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine (6S)-3-(amylthio)-6-(3-methyl-2-…

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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) 5.93 -3.98 -7.28 1 5 0 59 398.557 6 ↓

Analogs

2977035
2977035
2977036
2977036
683332
683332
683333
683333

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Popular Name: 7-acetyl-6-(5-bromo-2-thienyl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine 7-acetyl-6-(5-bromo-2-thienyl)-3…

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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) 4.52 -3.04 -11.62 0 6 0 68 463.382 3 ↓

Analogs

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Popular Name: 7-acetyl-6-(2-thienyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-yl pentyl sulfide 7-acetyl-6-(2-thienyl)-6,7-dihyd…

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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) 5.16 -1.8 -13.45 0 6 0 68 426.567 6 ↓

Analogs

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Popular Name: 7-acetyl-6-(2-thienyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-yl pentyl sulfide 7-acetyl-6-(2-thienyl)-6,7-dihyd…

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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) 5.16 -1.79 -13.45 0 6 0 68 426.567 6 ↓

Parameters Provided:

ring.id = 3439
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 = 3439 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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