UCSF
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Analogs

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

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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) 3.96 7.79 -7.32 0 3 0 35 274.751 3 ↓

Analogs

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

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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) 0.06 4.74 -54.72 3 4 1 63 256.329 3 ↓
Mid Mid (pH 6-8) 0.06 4.42 -7.71 2 4 0 61 255.321 3 ↓

Analogs

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

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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) 0.06 4.74 -55.31 3 4 1 63 256.329 3 ↓
Mid Mid (pH 6-8) 0.06 4.41 -8.53 2 4 0 61 255.321 3 ↓

Analogs

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Popular Name: (5R)-7,7-dimethyl-2-(phenoxymethyl)-6,8-dihydro-5H-quinazolin-5-amine (5R)-7,7-dimethyl-2-(phenoxymeth…

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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) 0.95 5.61 -55.09 3 4 1 63 284.383 3 ↓
Mid Mid (pH 6-8) 0.95 5.29 -8.36 2 4 0 61 283.375 3 ↓

Analogs

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Popular Name: (5S)-7,7-dimethyl-2-(phenoxymethyl)-6,8-dihydro-5H-quinazolin-5-amine (5S)-7,7-dimethyl-2-(phenoxymeth…

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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) 0.95 5.61 -55.87 3 4 1 63 284.383 3 ↓
Mid Mid (pH 6-8) 0.95 5.28 -7.37 2 4 0 61 283.375 3 ↓

Analogs

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

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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) 1.41 6.48 -48.41 2 4 1 52 270.356 4 ↓
Mid Mid (pH 6-8) 1.41 5.16 -7.73 1 4 0 47 269.348 4 ↓

Analogs

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

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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) 1.41 6.48 -48.95 2 4 1 52 270.356 4 ↓
Mid Mid (pH 6-8) 1.41 5.41 -7.43 1 4 0 47 269.348 4 ↓

Analogs

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Popular Name: (5R)-N-ethyl-2-(phenoxymethyl)-5,6,7,8-tetrahydroquinazolin-5-amine (5R)-N-ethyl-2-(phenoxymethyl)-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) 1.79 7.31 -46.93 2 4 1 52 284.383 5 ↓
Hi High (pH 8-9.5) 1.79 6.08 -7.52 1 4 0 47 283.375 5 ↓

Analogs

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Popular Name: (5S)-N-ethyl-2-(phenoxymethyl)-5,6,7,8-tetrahydroquinazolin-5-amine (5S)-N-ethyl-2-(phenoxymethyl)-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) 1.79 7.31 -47.43 2 4 1 52 284.383 5 ↓
Hi High (pH 8-9.5) 1.79 6.35 -7.26 1 4 0 47 283.375 5 ↓

Analogs

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

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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) 2.77 6.31 -9.26 2 4 0 61 255.321 3 ↓
Mid Mid (pH 6-8) 2.77 7.02 -24.99 3 4 1 62 256.329 3 ↓

Analogs

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

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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) 3.14 7.48 -9.45 1 4 0 47 269.348 4 ↓
Mid Mid (pH 6-8) 3.14 8.2 -24.16 2 4 1 48 270.356 4 ↓

Analogs

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Popular Name: N-ethyl-2-(phenoxymethyl)-5,6,7,8-tetrahydroquinazolin-4-amine N-ethyl-2-(phenoxymethyl)-5,6,7,…

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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) 3.52 8.3 -8.93 1 4 0 47 283.375 5 ↓
Mid Mid (pH 6-8) 3.52 9.01 -23.73 2 4 1 48 284.383 5 ↓

Analogs

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Popular Name: [2-(phenoxymethyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine [2-(phenoxymethyl)-5,6,7,8-tetra…

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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) 2.53 6.15 -9.86 3 5 0 73 270.336 4 ↓

Parameters Provided:

ring.id = 125918
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 = 125918 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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