UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

13139953
13139953
5863367
5863367

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Popular Name: N-cycloheptylideneamino-1,3-diphenyl-pyrazole-4-carboxamide N-cycloheptylideneamino-1,3-diph…

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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) 4.79 11.68 -16.37 1 5 0 59 372.472 4 ↓

Analogs

8579539
8579539

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Popular Name: [[(5S)-4-hydroxy-3,3-dimethyl-2-(5-methyl-2-furyl)-1-oxido-4-aza-1-azoniaspiro[4.6]undec-1-en-6-ylid [[(5S)-4-hydroxy-3,3-dimethyl-2-…

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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) 1.61 4.19 -17.74 4 8 0 116 379.486 3 ↓

Analogs

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Popular Name: N-(1,3-benzodioxol-5-yl)-2-[[5-(N'-cycloheptylidenehydrazino)-4H-1,2,4-triazol-3-yl]sulfanyl]acetami N-(1,3-benzodioxol-5-yl)-2-[[5-(…

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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) 3.52 8.32 -20.1 3 9 0 114 402.48 6 ↓

Analogs

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Popular Name: 2-(N'-cycloheptylidenehydrazino)-N,N-diisobutyl-5-nitro-benzenesulfonamide 2-(N'-cycloheptylidenehydrazino)…

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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) 7.11 -0.63 -10.1 1 8 0 108 438.594 9 ↓

Analogs

12428905
12428905

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Popular Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-(cycloheptylideneamino)-5-(3-nitrophenyl)triazole-4-carboxamide 1-(4-amino-1,2,5-oxadiazol-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) 3.11 7.49 -13.43 3 13 0 183 425.409 5 ↓

Analogs

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Popular Name: lucidine B lucidine 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) 5.49 13.54 -47.41 1 4 1 37 468.75 2 ↓

Analogs

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Popular Name: 71384-23-1; C09869; Lucidine B; Serratanine 71384-23-1; C09869; Lucidine 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) 5.49 13.88 -9.02 1 4 0 37 468.75 2 ↓

Analogs

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Popular Name: oxolucidine B oxolucidine 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) 4.55 11.01 -42.11 2 5 1 57 484.749 2 ↓

Analogs

6299799
6299799

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Popular Name: N-(cycloheptylideneamino)-N'-(2-methoxyethyl)-1-sulfanyl-formamidine N-(cycloheptylideneamino)-N'-(2-…

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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) 2.65 5.22 -13.87 2 4 0 48 243.376 5 ↓
Ref Reference (pH 7) 2.61 5.33 -9.33 2 4 0 46 243.376 6 ↓

Analogs

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Popular Name: 2-(cycloheptylideneamino)oxyacetic 2-(cycloheptylideneamino)oxyacetic

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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) 1.88 6.04 -49.51 0 4 -1 62 184.215 3 ↓

Parameters Provided:

ring.id = 3304
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 = 3304 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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