UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4626674
4626674
9084028
9084028

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Popular Name: Nexium hydrate Nexium hydrate

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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) 2.38 -3.53 -12.22 1 5 0 67 315.398 4 ↓

Analogs

4626699
4626699

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Popular Name: H 83/69 H 83/69

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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) 1.18 -4.5 -15.96 1 4 0 58 257.318 3 ↓

Analogs

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Popular Name: 3-chloro-2-[[(S)-(5-methoxy-1H-benzimidazol-2-yl)sulfinyl]methyl]-N,N-dimethyl-pyridin-4-amine 3-chloro-2-[[(S)-(5-methoxy-1H-b…

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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) 2.26 4.85 -38.25 2 6 1 72 365.866 5 ↓

Analogs

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Popular Name: 3-chloro-2-[[(R)-(5-methoxy-1H-benzimidazol-2-yl)sulfinyl]methyl]-N,N-dimethyl-pyridin-4-amine 3-chloro-2-[[(R)-(5-methoxy-1H-b…

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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) 2.26 4.91 -56.87 2 6 1 72 365.866 5 ↓

Analogs

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Popular Name: 6-[[(R)-(5-ethoxy-1H-benzimidazol-2-yl)sulfinyl]methyl]pyridin-2-amine 6-[[(R)-(5-ethoxy-1H-benzimidazo…

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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 3.1 -48.76 4 6 1 95 317.394 5 ↓

Analogs

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Popular Name: [2-[[(R)-(5-methoxy-1H-benzimidazol-2-yl)sulfinyl]methyl]-3,5-dimethyl-4-pyridyl] [2-[[(R)-(5-methoxy-1H-benzimida…

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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) 1.91 5.41 -22.23 1 7 0 94 373.434 6 ↓
Lo Low (pH 4.5-6) 1.91 5.84 -55.04 2 7 1 95 374.442 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[[(S)-(5-methoxy-1H-benzimidazol-2-yl)sulfinyl]methyl]-3,5-dimethyl-4-pyridyl] [2-[[(S)-(5-methoxy-1H-benzimida…

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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) 1.91 5.31 -20.08 1 7 0 94 373.434 6 ↓
Lo Low (pH 4.5-6) 1.91 5.74 -40.29 2 7 1 95 374.442 6 ↓

Analogs

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Popular Name: 2-[(R)-(6-methoxy-2-pyridyl)methylsulfinyl]-3H-benzimidazol-5-amine 2-[(R)-(6-methoxy-2-pyridyl)meth…

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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) 0.63 0.06 -17.9 3 6 0 94 302.359 4 ↓

Analogs

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Popular Name: 2-[(S)-(6-methoxy-2-pyridyl)methylsulfinyl]-3H-benzimidazol-5-amine 2-[(S)-(6-methoxy-2-pyridyl)meth…

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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) 0.63 0.06 -18.86 3 6 0 94 302.359 4 ↓

Parameters Provided:

ring.id = 373
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 = 373 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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