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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

17096981
17096981
17096982
17096982
17096983
17096983

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,12R)-12-(1H-indol-3-yl)-3-(4-isopropylphenyl)-3,4,5,12-tetrahydro-2H-quinazolino[3,2-a]benzimida (3S,12R)-12-(1H-indol-3-yl)-3-(4…

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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) 6.99 18.31 -46.3 3 5 1 64 473.6 3 ↓
Mid Mid (pH 6-8) 4.61 8.28 -23.22 3 6 0 88 438.911 8 ↓

Analogs

17096981
17096981
17096982
17096982
17096983
17096983

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,12R)-12-(1H-indol-3-yl)-3-(4-isopropylphenyl)-3,4,5,12-tetrahydro-2H-quinazolino[3,2-a]benzimida (3R,12R)-12-(1H-indol-3-yl)-3-(4…

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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) 6.99 18.29 -46.16 3 5 1 64 473.6 3 ↓
Mid Mid (pH 6-8) 4.13 11.95 -28.68 2 8 0 113 433.464 9 ↓

Analogs

17096981
17096981
17096982
17096982
17096983
17096983

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,12S)-12-(1H-indol-3-yl)-3-(4-isopropylphenyl)-3,4,5,12-tetrahydro-2H-quinazolino[3,2-a]benzimida (3S,12S)-12-(1H-indol-3-yl)-3-(4…

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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) 6.99 18.29 -46.13 3 5 1 64 473.6 3 ↓
Mid Mid (pH 6-8) 3.18 5.89 -20.56 5 8 0 123 440.544 11 ↓

Analogs

17096981
17096981
17096982
17096982
17096983
17096983

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,12S)-12-(1H-indol-3-yl)-3-(4-isopropylphenyl)-3,4,5,12-tetrahydro-2H-quinazolino[3,2-a]benzimida (3R,12S)-12-(1H-indol-3-yl)-3-(4…

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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) 6.99 18.32 -46.24 3 5 1 64 473.6 3 ↓
Mid Mid (pH 6-8) 3.59 9.34 -28.16 4 9 0 139 448.479 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,12R)-3-(2,4-dimethoxyphenyl)-12-(1H-indol-3-yl)-3,4,5,12-tetrahydro-2H-quinazolino[3,2-a]benzimi (3S,12R)-3-(2,4-dimethoxyphenyl)…

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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) 5.04 15.1 -48.18 3 7 1 82 491.571 4 ↓
Mid Mid (pH 6-8) 2.47 7.34 -15.71 1 7 0 83 373.405 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,12R)-3-(2,4-dimethoxyphenyl)-12-(1H-indol-3-yl)-3,4,5,12-tetrahydro-2H-quinazolino[3,2-a]benzimi (3R,12R)-3-(2,4-dimethoxyphenyl)…

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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) 5.04 15.09 -48.79 3 7 1 82 491.571 4 ↓
Mid Mid (pH 6-8) 2.39 6.92 -21.42 2 7 0 86 400.475 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,12S)-3-(2,4-dimethoxyphenyl)-12-(1H-indol-3-yl)-3,4,5,12-tetrahydro-2H-quinazolino[3,2-a]benzimi (3S,12S)-3-(2,4-dimethoxyphenyl)…

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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) 5.04 15.09 -48.71 3 7 1 82 491.571 4 ↓
Mid Mid (pH 6-8) 2.80 5.91 -12.22 2 5 0 67 344.386 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,12S)-3-(2,4-dimethoxyphenyl)-12-(1H-indol-3-yl)-3,4,5,12-tetrahydro-2H-quinazolino[3,2-a]benzimi (3R,12S)-3-(2,4-dimethoxyphenyl)…

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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) 5.04 15.11 -48 3 7 1 82 491.571 4 ↓
Mid Mid (pH 6-8) 2.65 8.37 -24.45 3 7 0 100 419.481 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,12R)-3-(3,4-dimethoxyphenyl)-12-(1H-indol-3-yl)-3,4,5,12-tetrahydro-2H-quinazolino[3,2-a]benzimi (3S,12R)-3-(3,4-dimethoxyphenyl)…

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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) 5.12 15.6 -52.33 3 7 1 82 491.571 4 ↓
Mid Mid (pH 6-8) 4.15 9.31 -11.08 2 5 0 63 365.408 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,12R)-3-(3,4-dimethoxyphenyl)-12-(1H-indol-3-yl)-3,4,5,12-tetrahydro-2H-quinazolino[3,2-a]benzimi (3R,12R)-3-(3,4-dimethoxyphenyl)…

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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) 5.12 15.59 -52.39 3 7 1 82 491.571 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,12S)-3-(3,4-dimethoxyphenyl)-12-(1H-indol-3-yl)-3,4,5,12-tetrahydro-2H-quinazolino[3,2-a]benzimi (3S,12S)-3-(3,4-dimethoxyphenyl)…

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Activity (Go SEA)

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) 5.12 15.6 -52.39 3 7 1 82 491.571 4 ↓
Mid Mid (pH 6-8) 2.08 1.32 -53.5 1 6 -1 87 300.338 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,12S)-3-(3,4-dimethoxyphenyl)-12-(1H-indol-3-yl)-3,4,5,12-tetrahydro-2H-quinazolino[3,2-a]benzimi (3R,12S)-3-(3,4-dimethoxyphenyl)…

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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) 5.12 15.6 -52.41 3 7 1 82 491.571 4 ↓
Mid Mid (pH 6-8) 2.45 5.54 -14.05 1 6 0 77 354.435 5 ↓

Parameters Provided:

ring.id = 111801
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 = 111801 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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