UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(4,5-dihydro-1H-thieno[3,2-e]benzimidazol-2-ylmethyl)cyclopropanamine N-(4,5-dihydro-1H-thieno[3,2-e]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) 1.92 6.32 -42.23 3 3 1 45 246.359 3 ↓
Hi High (pH 8-9.5) 1.92 5.04 -7.55 2 3 0 41 245.351 3 ↓

Analogs

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Popular Name: N-(4,5-dihydro-1H-thieno[3,2-e]benzimidazol-2-ylmethyl)propan-2-amine N-(4,5-dihydro-1H-thieno[3,2-e]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) 2.22 6.13 -42.32 3 3 1 45 248.375 3 ↓
Hi High (pH 8-9.5) 2.22 4.92 -6.09 2 3 0 41 247.367 3 ↓

Analogs

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Popular Name: N-(4,5-dihydro-3H-thieno[3,2-e]benzimidazol-2-ylmethyl)-2-methyl-propan-2-amine N-(4,5-dihydro-3H-thieno[3,2-e]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) 2.73 6.56 -39.89 3 3 1 45 262.402 3 ↓
Hi High (pH 8-9.5) 2.73 5.32 -5.97 2 3 0 41 261.394 3 ↓

Analogs

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Popular Name: N-(4,5-dihydro-3H-thieno[3,2-e]benzimidazol-2-ylmethyl)-2-methyl-propan-1-amine N-(4,5-dihydro-3H-thieno[3,2-e]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) 2.67 7.05 -44.66 3 3 1 45 262.402 4 ↓
Hi High (pH 8-9.5) 2.67 5.69 -6.04 2 3 0 41 261.394 4 ↓

Analogs

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Popular Name: N-(4,5-dihydro-3H-thieno[3,2-e]benzimidazol-2-ylmethyl)-2-methoxy-ethanamine N-(4,5-dihydro-3H-thieno[3,2-e]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) 1.53 4.12 -28.76 3 4 1 51 264.374 5 ↓
Hi High (pH 8-9.5) 1.53 3.4 -7.97 2 4 0 50 263.366 5 ↓
Mid Mid (pH 6-8) 1.53 4.74 -42.62 3 4 1 55 264.374 5 ↓

Parameters Provided:

ring.id = 210676
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 = 210676 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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