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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: ethyl ethyl

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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) 5.32 10.48 -31.29 2 5 1 56 459.035 8 ↓
Mid Mid (pH 6-8) 5.32 9.26 -7.14 1 5 0 54 458.027 8 ↓

Analogs

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Popular Name: benzyl-chloro-(chloromethyl)-(3,4-dimethoxyphenyl)BLAH benzyl-chloro-(chloromethyl)-(3,…

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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) 6.42 11.74 -8.5 0 4 0 35 499.463 6 ↓

Analogs

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Popular Name: N-[[benzyl-chloro-(3,4-dimethoxyphenyl)BLAHyl]methyl]cyclopropanamine N-[[benzyl-chloro-(3,4-dimethoxy…

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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) 5.77 11.93 -38.46 2 5 1 51 521.106 8 ↓
Hi High (pH 8-9.5) 5.77 10.64 -7.96 1 5 0 47 520.098 8 ↓

Analogs

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Popular Name: methyl methyl

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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) 1.79 5.35 -15.58 2 6 0 86 373.356 3 ↓

Analogs

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Popular Name: amino-N-(4-dimethylaminophenyl)-methyl-BLAHcarboxamide amino-N-(4-dimethylaminophenyl)-…

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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) 2.76 5.78 -30.38 4 6 1 76 382.513 3 ↓
Mid Mid (pH 6-8) 2.76 5.33 -10.7 3 6 0 74 381.505 3 ↓
Lo Low (pH 4.5-6) 2.76 6.57 -58.3 5 6 0 77 383.521 3 ↓

Analogs

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Popular Name: 1-[amino-(4-chlorobenzoyl)-(trifluoromethyl)BLAHyl]ethanone 1-[amino-(4-chlorobenzoyl)-(trif…

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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) 4.09 8.54 -14.39 2 5 0 76 453.873 3 ↓

Analogs

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Popular Name: amino-N-cyclopropyl-methyl-BLAHcarboxamide amino-N-cyclopropyl-methyl-BLAHc…

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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) 1.33 2.83 -11.01 3 5 0 71 302.403 2 ↓
Mid Mid (pH 6-8) 1.33 3.27 -30.02 4 5 1 72 303.411 2 ↓

Analogs

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Popular Name: tert-butyl tert-butyl

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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) 7.09 7.07 -10.11 0 9 0 112 524.539 8 ↓

Parameters Provided:

ring.id = 13946
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 = 13946 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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