UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

21708944
21708944
21708941
21708941
9134578
9134578
9134580
9134580

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(6aR)-6,12-dioxo-7,8,9,10-tetrahydro-6aH-pyrido[2,1-c][1,4]benzodiazepin-5-yl]-N-(2-isopropylphen 2-[(6aR)-6,12-dioxo-7,8,9,10-tet…

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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) 3.20 10.23 -13.24 1 6 0 70 405.498 4 ↓

Analogs

21708944
21708944
21708941
21708941
9134578
9134578
9134580
9134580

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(6aS)-6,12-dioxo-7,8,9,10-tetrahydro-6aH-pyrido[2,1-c][1,4]benzodiazepin-5-yl]-N-(2-isopropylphen 2-[(6aS)-6,12-dioxo-7,8,9,10-tet…

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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) 3.20 10.36 -22.17 1 6 0 70 405.498 4 ↓

Analogs

4984992
4984992

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(6aR)-6,12-dioxo-7,8,9,10-tetrahydro-6aH-pyrido[2,1-c][1,4]benzodiazepin-5-yl]-N-(4-isopropylphen 2-[(6aR)-6,12-dioxo-7,8,9,10-tet…

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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) 3.72 10.03 -13.87 1 6 0 70 405.498 4 ↓

Analogs

4984992
4984992

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(6aS)-6,12-dioxo-7,8,9,10-tetrahydro-6aH-pyrido[2,1-c][1,4]benzodiazepin-5-yl]-N-(4-isopropylphen 2-[(6aS)-6,12-dioxo-7,8,9,10-tet…

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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) 3.72 10.15 -22.29 1 6 0 70 405.498 4 ↓

Analogs

4984992
4984992

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(6aR)-6,12-dioxo-7,8,9,10-tetrahydro-6aH-pyrido[2,1-c][1,4]benzodiazepin-5-yl]-N-[4-[(1R)-1-methy 2-[(6aR)-6,12-dioxo-7,8,9,10-tet…

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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) 4.06 10.68 -13.76 1 6 0 70 419.525 5 ↓

Analogs

4984992
4984992

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(6aR)-6,12-dioxo-7,8,9,10-tetrahydro-6aH-pyrido[2,1-c][1,4]benzodiazepin-5-yl]-N-[4-[(1S)-1-methy 2-[(6aR)-6,12-dioxo-7,8,9,10-tet…

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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) 4.06 10.68 -13.75 1 6 0 70 419.525 5 ↓

Analogs

4984992
4984992

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(6aS)-6,12-dioxo-7,8,9,10-tetrahydro-6aH-pyrido[2,1-c][1,4]benzodiazepin-5-yl]-N-[4-[(1R)-1-methy 2-[(6aS)-6,12-dioxo-7,8,9,10-tet…

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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) 4.06 10.8 -22.16 1 6 0 70 419.525 5 ↓

Analogs

4984992
4984992

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(6aS)-6,12-dioxo-7,8,9,10-tetrahydro-6aH-pyrido[2,1-c][1,4]benzodiazepin-5-yl]-N-[4-[(1S)-1-methy 2-[(6aS)-6,12-dioxo-7,8,9,10-tet…

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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) 4.06 10.8 -22.14 1 6 0 70 419.525 5 ↓

Analogs

13624135
13624135
13624141
13624141
9134580
9134580

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-acetamidophenyl)-2-[(6aR)-6,12-dioxo-7,8,9,10-tetrahydro-6aH-pyrido[2,1-c][1,4]benzodiazepin-5- N-(4-acetamidophenyl)-2-[(6aR)-6…

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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) 1.43 7 -23.33 2 8 0 99 420.469 4 ↓

Analogs

13624135
13624135
13624141
13624141
9134580
9134580

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-acetamidophenyl)-2-[(6aS)-6,12-dioxo-7,8,9,10-tetrahydro-6aH-pyrido[2,1-c][1,4]benzodiazepin-5- N-(4-acetamidophenyl)-2-[(6aS)-6…

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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) 1.43 7.14 -31.68 2 8 0 99 420.469 4 ↓

Parameters Provided:

ring.id = 603473
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 = 603473 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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