UCSF
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Analogs

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Popular Name: 2-[(3S)-tetrahydrothiophen-3-yl]-1H-benzimidazol-5-amine 2-[(3S)-tetrahydrothiophen-3-yl]…

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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) 1.21 3.99 -7.57 3 3 0 55 219.313 1 ↓
Lo Low (pH 4.5-6) 1.21 4.41 -29.23 4 3 1 56 220.321 1 ↓

Analogs

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Popular Name: 2-[(3R)-tetrahydrothiophen-3-yl]-1H-benzimidazol-5-amine 2-[(3R)-tetrahydrothiophen-3-yl]…

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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) 1.21 4.06 -7.62 3 3 0 55 219.313 1 ↓
Lo Low (pH 4.5-6) 1.21 4.46 -29.82 4 3 1 56 220.321 1 ↓

Analogs

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Popular Name: 2-[(3S)-tetrahydrothiophen-3-yl]-3H-benzimidazol-4-amine 2-[(3S)-tetrahydrothiophen-3-yl]…

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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) 1.60 3.98 -6.8 3 3 0 55 219.313 1 ↓
Lo Low (pH 4.5-6) 1.60 4.42 -30.16 4 3 1 56 220.321 1 ↓

Analogs

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Popular Name: 2-[(3R)-tetrahydrothiophen-3-yl]-3H-benzimidazol-4-amine 2-[(3R)-tetrahydrothiophen-3-yl]…

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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) 1.60 4.06 -6.89 3 3 0 55 219.313 1 ↓
Lo Low (pH 4.5-6) 1.60 4.45 -30.47 4 3 1 56 220.321 1 ↓

Analogs

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Popular Name: 2-[(3S)-tetrahydrothiophen-3-yl]-1H-benzimidazole 2-[(3S)-tetrahydrothiophen-3-yl]…

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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) 2.16 6.12 -7.11 1 2 0 29 204.298 1 ↓
Lo Low (pH 4.5-6) 2.16 6.58 -29.98 2 2 1 30 205.306 1 ↓

Analogs

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Popular Name: 2-[(3R)-tetrahydrothiophen-3-yl]-1H-benzimidazole 2-[(3R)-tetrahydrothiophen-3-yl]…

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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) 2.16 6.19 -7.29 1 2 0 29 204.298 1 ↓
Lo Low (pH 4.5-6) 2.16 6.62 -30.49 2 2 1 30 205.306 1 ↓

Analogs

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Popular Name: 5,6-dimethyl-2-[(3S)-tetrahydrothiophen-3-yl]-1H-benzimidazole 5,6-dimethyl-2-[(3S)-tetrahydrot…

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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) 2.96 7.34 -7.26 1 2 0 29 232.352 1 ↓
Lo Low (pH 4.5-6) 2.96 7.78 -29.56 2 2 1 30 233.36 1 ↓

Analogs

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Popular Name: 5,6-dimethyl-2-[(3R)-tetrahydrothiophen-3-yl]-1H-benzimidazole 5,6-dimethyl-2-[(3R)-tetrahydrot…

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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) 2.96 7.42 -7.32 1 2 0 29 232.352 1 ↓
Lo Low (pH 4.5-6) 2.96 7.83 -30.04 2 2 1 30 233.36 1 ↓

Analogs

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Popular Name: 5,6-difluoro-2-[(3S)-tetrahydrothiophen-3-yl]-1H-benzimidazole 5,6-difluoro-2-[(3S)-tetrahydrot…

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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) 2.39 6.24 -6.46 1 2 0 29 240.278 1 ↓
Lo Low (pH 4.5-6) 2.39 6.67 -37.28 2 2 1 30 241.286 1 ↓

Analogs

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Popular Name: 5,6-difluoro-2-[(3R)-tetrahydrothiophen-3-yl]-1H-benzimidazole 5,6-difluoro-2-[(3R)-tetrahydrot…

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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) 2.39 6.31 -6.78 1 2 0 29 240.278 1 ↓
Lo Low (pH 4.5-6) 2.39 6.72 -37.93 2 2 1 30 241.286 1 ↓

Parameters Provided:

ring.id = 511638
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 = 511638 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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