UCSF
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Analogs

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Popular Name: (6S,13bR)-6-(2-chlorophenyl)-11,12-dimethoxy-6,8,9,13b-tetrahydro-5H-isoquinolino[2,1-c]quinazoline (6S,13bR)-6-(2-chlorophenyl)-11,…

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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) 5.00 9.97 -7.89 1 4 0 34 406.913 3 ↓
Mid Mid (pH 6-8) 5.00 11.3 -34.75 2 4 1 35 407.921 3 ↓

Analogs

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Popular Name: (6S,13bS)-6-(2-chlorophenyl)-11,12-dimethoxy-6,8,9,13b-tetrahydro-5H-isoquinolino[2,1-c]quinazoline (6S,13bS)-6-(2-chlorophenyl)-11,…

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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) 5.00 9.7 -7.98 1 4 0 34 406.913 3 ↓
Mid Mid (pH 6-8) 5.00 11.09 -32.17 2 4 1 35 407.921 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,13bR)-6-(2-chlorophenyl)-11,12-dimethoxy-6,8,9,13b-tetrahydro-5H-isoquinolino[2,1-c]quinazoline (6R,13bR)-6-(2-chlorophenyl)-11,…

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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) 5.00 9.59 -7.94 1 4 0 34 406.913 3 ↓
Mid Mid (pH 6-8) 5.00 11.13 -32.01 2 4 1 35 407.921 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,13bS)-6-(2-chlorophenyl)-11,12-dimethoxy-6,8,9,13b-tetrahydro-5H-isoquinolino[2,1-c]quinazoline (6R,13bS)-6-(2-chlorophenyl)-11,…

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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) 5.00 9.81 -8.11 1 4 0 34 406.913 3 ↓
Mid Mid (pH 6-8) 5.00 11.3 -34.75 2 4 1 35 407.921 3 ↓

Analogs

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Popular Name: (6S,13bR)-6-(3-chlorophenyl)-11,12-dimethoxy-6,8,9,13b-tetrahydro-5H-isoquinolino[2,1-c]quinazoline (6S,13bR)-6-(3-chlorophenyl)-11,…

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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) 5.03 9.76 -7.18 1 4 0 34 406.913 3 ↓
Mid Mid (pH 6-8) 5.03 11.51 -38.35 2 4 1 35 407.921 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,13bS)-6-(3-chlorophenyl)-11,12-dimethoxy-6,8,9,13b-tetrahydro-5H-isoquinolino[2,1-c]quinazoline (6S,13bS)-6-(3-chlorophenyl)-11,…

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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) 5.03 9.8 -8.44 1 4 0 34 406.913 3 ↓
Mid Mid (pH 6-8) 5.03 11.23 -41.51 2 4 1 35 407.921 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,13bR)-6-(3-chlorophenyl)-11,12-dimethoxy-6,8,9,13b-tetrahydro-5H-isoquinolino[2,1-c]quinazoline (6R,13bR)-6-(3-chlorophenyl)-11,…

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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) 5.03 9.73 -10.75 1 4 0 34 406.913 3 ↓
Mid Mid (pH 6-8) 5.03 11.31 -44.65 2 4 1 35 407.921 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,13bS)-6-(3-chlorophenyl)-11,12-dimethoxy-6,8,9,13b-tetrahydro-5H-isoquinolino[2,1-c]quinazoline (6R,13bS)-6-(3-chlorophenyl)-11,…

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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) 5.03 9.68 -8.53 1 4 0 34 406.913 3 ↓
Mid Mid (pH 6-8) 5.03 11.49 -39.47 2 4 1 35 407.921 3 ↓

Analogs

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Popular Name: (6R,13bR)-6-(4-isopropylphenyl)-11,12-dimethoxy-6,8,9,13b-tetrahydro-5H-isoquinolino[2,1-c]quinazoli (6R,13bR)-6-(4-isopropylphenyl)-…

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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) 5.89 12.53 -41.09 2 4 1 35 415.557 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,13bR)-6-(4-isopropylphenyl)-11,12-dimethoxy-6,8,9,13b-tetrahydro-5H-isoquinolino[2,1-c]quinazoli (6S,13bR)-6-(4-isopropylphenyl)-…

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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) 5.89 12.84 -36.11 2 4 1 35 415.557 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,13bS)-6-(4-isopropylphenyl)-11,12-dimethoxy-6,8,9,13b-tetrahydro-5H-isoquinolino[2,1-c]quinazoli (6R,13bS)-6-(4-isopropylphenyl)-…

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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) 5.89 12.83 -36.03 2 4 1 35 415.557 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,13bS)-6-(4-isopropylphenyl)-11,12-dimethoxy-6,8,9,13b-tetrahydro-5H-isoquinolino[2,1-c]quinazoli (6S,13bS)-6-(4-isopropylphenyl)-…

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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) 5.89 12.5 -41.09 2 4 1 35 415.557 4 ↓

Parameters Provided:

ring.id = 172766
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 = 172766 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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