UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-N,N-dipropyl-acetamide 2-[(2-phenyl-5,6,7,8-tetrahydroq…

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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) 4.61 12.09 -9.41 1 5 0 58 366.509 8 ↓
Mid Mid (pH 6-8) 4.61 12.39 -27.5 2 5 1 59 367.517 8 ↓

Analogs

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Popular Name: (5S)-2-(4-propoxyphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine (5S)-2-(4-propoxyphenyl)-5,6,7,8…

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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) 1.35 6.53 -53.58 3 4 1 63 284.383 4 ↓
Mid Mid (pH 6-8) 1.35 6.22 -6.33 2 4 0 61 283.375 4 ↓

Analogs

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Popular Name: (5R)-2-(4-propoxyphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine (5R)-2-(4-propoxyphenyl)-5,6,7,8…

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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) 1.35 6.53 -53.59 3 4 1 63 284.383 4 ↓
Mid Mid (pH 6-8) 1.35 6.21 -7.32 2 4 0 61 283.375 4 ↓

Analogs

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Popular Name: 2-(4-propoxyphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine 2-(4-propoxyphenyl)-5,6,7,8-tetr…

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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 8.11 -7.71 2 4 0 61 283.375 4 ↓
Mid Mid (pH 6-8) 4.06 8.42 -25.99 3 4 1 62 284.383 4 ↓

Analogs

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Popular Name: (5S)-2-(3-propoxyphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine (5S)-2-(3-propoxyphenyl)-5,6,7,8…

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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) 1.33 6.54 -53.44 3 4 1 63 284.383 4 ↓
Mid Mid (pH 6-8) 1.33 6.22 -7.64 2 4 0 61 283.375 4 ↓

Analogs

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Popular Name: (5R)-2-(3-propoxyphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine (5R)-2-(3-propoxyphenyl)-5,6,7,8…

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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) 1.33 6.54 -53.41 3 4 1 63 284.383 4 ↓
Mid Mid (pH 6-8) 1.33 6.22 -8.6 2 4 0 61 283.375 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-propoxyphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine 2-(3-propoxyphenyl)-5,6,7,8-tetr…

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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) 4.04 8.11 -9.04 2 4 0 61 283.375 4 ↓
Mid Mid (pH 6-8) 4.04 8.41 -26.75 3 4 1 62 284.383 4 ↓

Analogs

11996907
11996907

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Popular Name: 4,4,4-trifluoro-N-[(5R)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]butanamide 4,4,4-trifluoro-N-[(5R)-2-phenyl…

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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) 2.56 0.29 -12.2 1 4 0 55 349.356 5 ↓

Analogs

11996906
11996906

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Popular Name: 4,4,4-trifluoro-N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]butanamide 4,4,4-trifluoro-N-[(5S)-2-phenyl…

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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) 2.56 0.29 -12.2 1 4 0 55 349.356 5 ↓

Analogs

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Popular Name: 4-chloro-2-(3-chloro-4-fluoro-phenyl)-5,6,7,8-tetrahydroquinazoline 4-chloro-2-(3-chloro-4-fluoro-ph…

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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) 5.09 9.13 -4.6 0 2 0 26 297.16 1 ↓

Analogs

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Popular Name: (5S)-2-(3-chloro-4-fluoro-phenyl)-5,6,7,8-tetrahydroquinazolin-5-amine (5S)-2-(3-chloro-4-fluoro-phenyl…

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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) 1.19 6.07 -55.29 3 3 1 53 278.738 1 ↓
Mid Mid (pH 6-8) 1.19 5.76 -5.4 2 3 0 52 277.73 1 ↓

Analogs

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Popular Name: (5R)-2-(3-chloro-4-fluoro-phenyl)-5,6,7,8-tetrahydroquinazolin-5-amine (5R)-2-(3-chloro-4-fluoro-phenyl…

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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) 1.19 6.07 -55.29 3 3 1 53 278.738 1 ↓
Mid Mid (pH 6-8) 1.19 5.75 -6.13 2 3 0 52 277.73 1 ↓

Analogs

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Popular Name: (5R)-2-(3-chloro-4-fluoro-phenyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine (5R)-2-(3-chloro-4-fluoro-phenyl…

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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) 2.08 6.94 -54.38 3 3 1 53 306.792 1 ↓
Mid Mid (pH 6-8) 2.08 6.62 -5.61 2 3 0 52 305.784 1 ↓

Analogs

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Popular Name: (5S)-2-(3-chloro-4-fluoro-phenyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine (5S)-2-(3-chloro-4-fluoro-phenyl…

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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) 2.08 6.94 -54.38 3 3 1 53 306.792 1 ↓
Mid Mid (pH 6-8) 2.08 6.61 -4.86 2 3 0 52 305.784 1 ↓

Analogs

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Popular Name: (5R)-2-(3-chloro-4-fluoro-phenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine (5R)-2-(3-chloro-4-fluoro-phenyl…

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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) 2.54 7.82 -47.74 2 3 1 42 292.765 2 ↓
Mid Mid (pH 6-8) 2.54 6.5 -5.29 1 3 0 38 291.757 2 ↓

Analogs

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Popular Name: (5S)-2-(3-chloro-4-fluoro-phenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine (5S)-2-(3-chloro-4-fluoro-phenyl…

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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) 2.54 7.82 -47.72 2 3 1 42 292.765 2 ↓
Mid Mid (pH 6-8) 2.54 6.75 -5.07 1 3 0 38 291.757 2 ↓

Analogs

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Popular Name: (5R)-2-(3-chloro-4-fluoro-phenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-5-amine (5R)-2-(3-chloro-4-fluoro-phenyl…

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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) 2.92 8.65 -46.23 2 3 1 42 306.792 3 ↓
Hi High (pH 8-9.5) 2.92 7.42 -5.07 1 3 0 38 305.784 3 ↓

Analogs

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Popular Name: (5S)-2-(3-chloro-4-fluoro-phenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-5-amine (5S)-2-(3-chloro-4-fluoro-phenyl…

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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) 2.92 8.65 -46.26 2 3 1 42 306.792 3 ↓
Hi High (pH 8-9.5) 2.92 7.7 -4.87 1 3 0 38 305.784 3 ↓

Analogs

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Popular Name: 2-(3-chloro-4-fluoro-phenyl)-5,6,7,8-tetrahydroquinazolin-4-amine 2-(3-chloro-4-fluoro-phenyl)-5,6…

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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) 3.90 7.65 -6.61 2 3 0 52 277.73 1 ↓
Mid Mid (pH 6-8) 3.90 7.96 -28.29 3 3 1 53 278.738 1 ↓

Analogs

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Popular Name: [2-(3-chloro-4-fluoro-phenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine [2-(3-chloro-4-fluoro-phenyl)-5,…

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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) 3.66 7.49 -7.28 3 4 0 64 292.745 2 ↓

Analogs

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Popular Name: (5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-amine (5S)-2-phenyl-5,6,7,8-tetrahydro…

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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) 0.42 5.52 -52.81 3 3 1 53 226.303 1 ↓
Hi High (pH 8-9.5) 0.42 5.21 -6.6 2 3 0 52 225.295 1 ↓

Analogs

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Popular Name: (5R)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-amine (5R)-2-phenyl-5,6,7,8-tetrahydro…

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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) 0.42 5.52 -52.85 3 3 1 53 226.303 1 ↓
Hi High (pH 8-9.5) 0.42 5.2 -7.54 2 3 0 52 225.295 1 ↓

Parameters Provided:

ring.id = 14475
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 = 14475 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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