UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-chloro-2-(1-phenylcyclopropyl)-5,6,7,8-tetrahydroquinazoline 4-chloro-2-(1-phenylcyclopropyl)…

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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) 4.33 10.85 -5.56 0 2 0 26 284.79 2 ↓

Analogs

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Popular Name: (5S)-2-(1-phenylcyclopropyl)-5,6,7,8-tetrahydroquinazolin-5-amine (5S)-2-(1-phenylcyclopropyl)-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) 0.42 7.79 -52.29 3 3 1 53 266.368 2 ↓
Mid Mid (pH 6-8) 0.42 7.47 -5.85 2 3 0 52 265.36 2 ↓

Analogs

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Popular Name: (5R)-2-(1-phenylcyclopropyl)-5,6,7,8-tetrahydroquinazolin-5-amine (5R)-2-(1-phenylcyclopropyl)-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) 0.42 7.79 -52.61 3 3 1 53 266.368 2 ↓
Mid Mid (pH 6-8) 0.42 7.46 -6.79 2 3 0 52 265.36 2 ↓

Analogs

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Popular Name: (5R)-N-methyl-2-(1-phenylcyclopropyl)-5,6,7,8-tetrahydroquinazolin-5-amine (5R)-N-methyl-2-(1-phenylcyclopr…

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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) 1.77 9.55 -46.37 2 3 1 42 280.395 3 ↓
Hi High (pH 8-9.5) 1.77 8.23 -5.84 1 3 0 38 279.387 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-N-methyl-2-(1-phenylcyclopropyl)-5,6,7,8-tetrahydroquinazolin-5-amine (5S)-N-methyl-2-(1-phenylcyclopr…

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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) 1.77 9.53 -46.07 2 3 1 42 280.395 3 ↓
Hi High (pH 8-9.5) 1.77 8.47 -5.66 1 3 0 38 279.387 3 ↓

Analogs

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Popular Name: 2-(1-phenylcyclopropyl)-5,6,7,8-tetrahydroquinazolin-4-amine 2-(1-phenylcyclopropyl)-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) 3.13 8.71 -24.33 3 3 1 53 266.368 2 ↓
Mid Mid (pH 6-8) 3.13 9.37 -7.26 2 3 0 52 265.36 2 ↓

Analogs

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Popular Name: N-methyl-2-(1-phenylcyclopropyl)-5,6,7,8-tetrahydroquinazolin-4-amine N-methyl-2-(1-phenylcyclopropyl)…

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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) 3.50 10.19 -23.52 2 3 1 39 280.395 3 ↓
Mid Mid (pH 6-8) 3.50 10.54 -7.41 1 3 0 38 279.387 3 ↓

Analogs

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Popular Name: [2-(1-phenylcyclopropyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine [2-(1-phenylcyclopropyl)-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) 2.89 9.22 -7.98 3 4 0 64 280.375 3 ↓

Parameters Provided:

ring.id = 271189
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 = 271189 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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