UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-chloro-2-(2-thienylmethyl)-5,6,7,8-tetrahydroquinazoline 4-chloro-2-(2-thienylmethyl)-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) 4.17 8 -5.63 0 2 0 26 264.781 2 ↓

Analogs

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Popular Name: (5S)-2-(2-thienylmethyl)-5,6,7,8-tetrahydroquinazolin-5-amine (5S)-2-(2-thienylmethyl)-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) 0.27 4.95 -51.94 3 3 1 53 246.359 2 ↓
Mid Mid (pH 6-8) 0.27 4.63 -5.68 2 3 0 52 245.351 2 ↓

Analogs

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Popular Name: (5R)-2-(2-thienylmethyl)-5,6,7,8-tetrahydroquinazolin-5-amine (5R)-2-(2-thienylmethyl)-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) 0.27 4.95 -52.42 3 3 1 53 246.359 2 ↓
Mid Mid (pH 6-8) 0.27 4.62 -6.59 2 3 0 52 245.351 2 ↓

Analogs

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

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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) 1.16 5.81 -51.8 3 3 1 53 274.413 2 ↓
Mid Mid (pH 6-8) 1.16 5.49 -6.22 2 3 0 52 273.405 2 ↓

Analogs

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

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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) 1.16 5.81 -52.43 3 3 1 53 274.413 2 ↓
Mid Mid (pH 6-8) 1.16 5.49 -5.31 2 3 0 52 273.405 2 ↓

Analogs

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

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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) 1.62 6.69 -45.27 2 3 1 42 260.386 3 ↓
Hi High (pH 8-9.5) 1.62 5.37 -5.75 1 3 0 38 259.378 3 ↓

Analogs

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

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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) 1.62 6.69 -45.77 2 3 1 42 260.386 3 ↓
Hi High (pH 8-9.5) 1.62 5.62 -5.54 1 3 0 38 259.378 3 ↓

Analogs

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

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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) 2.00 7.52 -43.87 2 3 1 42 274.413 4 ↓
Hi High (pH 8-9.5) 2.00 6.29 -5.55 1 3 0 38 273.405 4 ↓

Analogs

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

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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) 2.00 7.52 -44.27 2 3 1 42 274.413 4 ↓
Hi High (pH 8-9.5) 2.00 6.56 -5.31 1 3 0 38 273.405 4 ↓

Analogs

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

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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) 2.50 8.28 -44.62 2 3 1 42 288.44 5 ↓
Hi High (pH 8-9.5) 2.50 7.04 -5.43 1 3 0 38 287.432 5 ↓

Analogs

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

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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) 2.50 8.28 -45.03 2 3 1 42 288.44 5 ↓
Hi High (pH 8-9.5) 2.50 7.31 -5.26 1 3 0 38 287.432 5 ↓

Analogs

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Popular Name: (5R)-N,7,7-trimethyl-2-(2-thienylmethyl)-6,8-dihydro-5H-quinazolin-5-amine (5R)-N,7,7-trimethyl-2-(2-thieny…

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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) 2.51 7.56 -45.47 2 3 1 42 288.44 3 ↓
Hi High (pH 8-9.5) 2.51 6.5 -5.09 1 3 0 38 287.432 3 ↓

Analogs

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Popular Name: (5S)-N,7,7-trimethyl-2-(2-thienylmethyl)-6,8-dihydro-5H-quinazolin-5-amine (5S)-N,7,7-trimethyl-2-(2-thieny…

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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) 2.51 7.57 -46.06 2 3 1 42 288.44 3 ↓
Hi High (pH 8-9.5) 2.51 6.24 -5.29 1 3 0 38 287.432 3 ↓

Analogs

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Popular Name: (5R)-N-ethyl-7,7-dimethyl-2-(2-thienylmethyl)-6,8-dihydro-5H-quinazolin-5-amine (5R)-N-ethyl-7,7-dimethyl-2-(2-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) 2.88 8.38 -43.89 2 3 1 42 302.467 4 ↓
Hi High (pH 8-9.5) 2.88 7.16 -5.17 1 3 0 38 301.459 4 ↓

Analogs

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Popular Name: (5S)-N-ethyl-7,7-dimethyl-2-(2-thienylmethyl)-6,8-dihydro-5H-quinazolin-5-amine (5S)-N-ethyl-7,7-dimethyl-2-(2-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) 2.88 8.38 -44.46 2 3 1 42 302.467 4 ↓
Hi High (pH 8-9.5) 2.88 7.42 -4.97 1 3 0 38 301.459 4 ↓

Analogs

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Popular Name: 2-(2-thienylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine 2-(2-thienylmethyl)-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) 2.98 6.52 -7.02 2 3 0 52 245.351 2 ↓
Mid Mid (pH 6-8) 2.98 6.99 -27.96 3 3 1 53 246.359 2 ↓

Analogs

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Popular Name: N-methyl-2-(2-thienylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine N-methyl-2-(2-thienylmethyl)-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) 3.35 8.16 -27.13 2 3 1 39 260.386 3 ↓
Mid Mid (pH 6-8) 3.35 7.68 -7.34 1 3 0 38 259.378 3 ↓

Analogs

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Popular Name: N-ethyl-2-(2-thienylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine N-ethyl-2-(2-thienylmethyl)-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) 3.73 8.99 -26.7 2 3 1 39 274.413 4 ↓
Mid Mid (pH 6-8) 3.73 8.51 -6.85 1 3 0 38 273.405 4 ↓

Analogs

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Popular Name: N-propyl-2-(2-thienylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine N-propyl-2-(2-thienylmethyl)-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) 4.23 9.74 -26.79 2 3 1 39 288.44 5 ↓
Mid Mid (pH 6-8) 4.23 9.27 -6.73 1 3 0 38 287.432 5 ↓

Analogs

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

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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) 2.74 6.36 -7.69 3 4 0 64 260.366 3 ↓

Parameters Provided:

ring.id = 33034
filter.purchasability = annotated
page.format = targets
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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 = 33034 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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