UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

15861479
15861479
15861481
15861481
16323225
16323225
31934277
31934277
31936389
31936389

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Popular Name: 2-(4-isopropylphenyl)-1-[(4-isopropylphenyl)methyl]benzimidazole 2-(4-isopropylphenyl)-1-[(4-isop…

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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) 8.21 2.66 -9.3 0 2 0 18 368.524 5 ↓

Analogs

40250255
40250255

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Popular Name: 2-(3-bromophenyl)-1-[(4-isopropylphenyl)methyl]benzimidazole 2-(3-bromophenyl)-1-[(4-isopropy…

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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) 7.51 1.1 -10.39 0 2 0 18 405.339 4 ↓

Analogs

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Popular Name: 3-(1-benzylbenzimidazol-2-yl)phenol 3-(1-benzylbenzimidazol-2-yl)phenol

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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) 4.70 9.35 -12.7 1 3 0 38 300.361 3 ↓
Lo Low (pH 4.5-6) 4.70 9.74 -26.41 2 3 1 39 301.369 3 ↓

Analogs

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Popular Name: 4-(1-benzylbenzimidazol-2-yl)phenol 4-(1-benzylbenzimidazol-2-yl)phenol

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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) 4.73 8.98 -11.35 1 3 0 38 300.361 3 ↓
Mid Mid (pH 6-8) 4.73 9.75 -26.83 2 3 1 39 301.369 3 ↓

Analogs

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Popular Name: 4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]phenol 4-[1-[(4-fluorophenyl)methyl]ben…

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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) 4.89 9.24 -11.86 1 3 0 38 318.351 3 ↓
Mid Mid (pH 6-8) 4.89 9.87 -30.7 2 3 1 39 319.359 3 ↓

Analogs

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Popular Name: 4-[1-(o-tolylmethyl)benzimidazol-2-yl]phenol 4-[1-(o-tolylmethyl)benzimidazol…

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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) 5.13 9.51 -10.67 1 3 0 38 314.388 3 ↓
Mid Mid (pH 6-8) 5.13 9.79 -26.73 2 3 1 39 315.396 3 ↓

Analogs

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Popular Name: N-[3-[1-[[3-(methanesulfonamido)phenyl]methyl]benzimidazol-2-yl]phenyl]methanesulfonamide N-[3-[1-[[3-(methanesulfonamido)…

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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) 3.62 5.37 -106.87 0 8 -2 114 468.56 7 ↓
Lo Low (pH 4.5-6) 3.62 6.01 -49.09 2 8 0 113 470.576 7 ↓
Lo Low (pH 4.5-6) 3.62 6.14 -72.02 1 8 -1 116 469.568 7 ↓

Parameters Provided:

ring.id = 100360
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 = 100360 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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