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

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Popular Name: 1-phenethyl-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-phenethyl-2,3,4,5-tetrahydro-1…

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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) 3.22 9.4 -40.55 2 2 1 20 253.369 3 ↓
Hi High (pH 8-9.5) 3.22 8.15 -3.85 1 2 0 15 252.361 3 ↓

Analogs

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Popular Name: 1-[(2R)-2-phenylpropyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(2R)-2-phenylpropyl]-2,3,4,5-…

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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) 4.01 9.82 -40.18 2 2 1 20 267.396 3 ↓
Hi High (pH 8-9.5) 4.01 8.58 -3.37 1 2 0 15 266.388 3 ↓

Analogs

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Popular Name: 1-[(2S)-2-phenylpropyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(2S)-2-phenylpropyl]-2,3,4,5-…

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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) 4.01 9.72 -41.71 2 2 1 20 267.396 3 ↓
Hi High (pH 8-9.5) 4.01 8.46 -3.73 1 2 0 15 266.388 3 ↓

Analogs

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Popular Name: (1S)-1-phenyl-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethanol (1S)-1-phenyl-2-(2,3,4,5-tetrahy…

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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) 2.23 6.29 -42.91 3 3 1 40 269.368 3 ↓
Hi High (pH 8-9.5) 2.23 5.04 -5.67 2 3 0 35 268.36 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-phenyl-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethanol (1R)-1-phenyl-2-(2,3,4,5-tetrahy…

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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) 2.23 6.59 -38.78 3 3 1 40 269.368 3 ↓
Hi High (pH 8-9.5) 2.23 5.33 -5.14 2 3 0 35 268.36 3 ↓

Analogs

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Popular Name: (2S)-2-phenyl-1-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propan-2-ol (2S)-2-phenyl-1-(2,3,4,5-tetrahy…

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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) 2.81 6.93 -41.35 3 3 1 40 283.395 3 ↓
Hi High (pH 8-9.5) 2.81 5.68 -4.35 2 3 0 35 282.387 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-phenyl-1-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propan-2-ol (2R)-2-phenyl-1-(2,3,4,5-tetrahy…

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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) 2.81 6.92 -43.21 3 3 1 40 283.395 3 ↓
Hi High (pH 8-9.5) 2.81 5.68 -4.37 2 3 0 35 282.387 3 ↓

Parameters Provided:

ring.id = 262775
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 = 262775 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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