UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

13719567
13719567

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Popular Name: 5-amino-4-(1H-benzimidazol-2-yl)-1-[(Z)-(3-hydroxyphenyl)methyleneamino]-2H-pyrrol-3-one 5-amino-4-(1H-benzimidazol-2-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) 0.24 4.52 -14.84 4 7 0 108 333.351 3 ↓
Lo Low (pH 4.5-6) 0.24 5.11 -27.8 5 7 1 109 334.359 3 ↓

Analogs

13721072
13721072

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Popular Name: 5-amino-4-(1H-benzimidazol-2-yl)-1-[(Z)-(4-dimethylaminophenyl)methyleneamino]-2H-pyrrol-3-one 5-amino-4-(1H-benzimidazol-2-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) 0.84 7.76 -14.6 3 7 0 91 360.421 4 ↓
Lo Low (pH 4.5-6) 0.84 8.47 -26.13 4 7 1 92 361.429 4 ↓

Analogs

13725496
13725496
13727717
13727717

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Popular Name: 5-amino-4-(1H-benzimidazol-2-yl)-1-[(Z)-(2,4-dichlorophenyl)methyleneamino]-2H-pyrrol-3-one 5-amino-4-(1H-benzimidazol-2-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) 2.02 8.28 -10.33 3 6 0 87 386.242 3 ↓
Lo Low (pH 4.5-6) 2.02 8.97 -27.76 4 6 1 89 387.25 3 ↓

Analogs

13725496
13725496
13727717
13727717

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Popular Name: 5-amino-4-(1H-benzimidazol-2-yl)-1-[(Z)-(2,6-dichlorophenyl)methyleneamino]-2H-pyrrol-3-one 5-amino-4-(1H-benzimidazol-2-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) 2.00 8.44 -11.4 3 6 0 87 386.242 3 ↓
Lo Low (pH 4.5-6) 2.00 8.11 -25.73 4 6 1 89 387.25 3 ↓

Analogs

13730074
13730074

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Popular Name: 5-amino-4-(1H-benzimidazol-2-yl)-1-[(Z)-(2,3,4-trimethoxyphenyl)methyleneamino]-2H-pyrrol-3-one 5-amino-4-(1H-benzimidazol-2-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) 0.57 6.6 -13.5 3 9 0 115 407.43 6 ↓
Lo Low (pH 4.5-6) 0.57 7.37 -29.72 4 9 1 116 408.438 6 ↓

Parameters Provided:

ring.id = 16035
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 = 16035 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=16035&filter.purchasability=annotated

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