UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[4-(cyclohexylthiocarbamoylamino)phenyl]acetic-acid-methyl-ester 2-[4-(cyclohexylthiocarbamoylami…

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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) 3.30 -1 -13.99 2 4 0 50 306.431 7 ↓

Analogs

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Popular Name: N-cyclohexyl-N'-[4-(difluoromethoxy)phenyl]-N-ethyl-1-sulfanyl-formamidine N-cyclohexyl-N'-[4-(difluorometh…

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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) 4.49 9.7 -14.6 1 3 0 24 328.428 7 ↓

Analogs

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Popular Name: N'-(4-acetylphenyl)-N-cyclohexyl-N-ethyl-1-sulfanyl-formamidine N'-(4-acetylphenyl)-N-cyclohexyl…

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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) 3.77 10.6 -16.94 1 3 0 32 304.459 6 ↓

Analogs

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Popular Name: N-cyclohexyl-N-methyl-N'-(m-tolyl)-1-sulfanyl-formamidine N-cyclohexyl-N-methyl-N'-(m-toly…

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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) 3.92 10.11 -11.16 1 2 0 15 262.422 4 ↓

Analogs

6349050
6349050
6597348
6597348

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Popular Name: N-cyclohexyl-N'-(2,4-dimethoxyphenyl)-1-sulfanyl-formamidine N-cyclohexyl-N'-(2,4-dimethoxyph…

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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) 3.97 6.13 -8.71 2 4 0 44 294.42 5 ↓

Analogs

16238189
16238189

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Popular Name: 3-cyclohexyl-1-(2-sec-butylphenyl)thiourea 3-cyclohexyl-1-(2-sec-butylpheny…

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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) 4.59 10.53 -9.57 2 2 0 24 290.476 6 ↓

Analogs

16238189
16238189

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Popular Name: 3-cyclohexyl-1-(2-sec-butylphenyl)thiourea 3-cyclohexyl-1-(2-sec-butylpheny…

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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) 4.59 10.51 -9.68 2 2 0 24 290.476 6 ↓

Analogs

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Popular Name: 1-(4-bromo-2-chloro-phenyl)-3-cyclohexyl-thiourea 1-(4-bromo-2-chloro-phenyl)-3-cy…

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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) 4.67 8.98 -7.25 2 2 0 24 347.709 4 ↓

Analogs

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Popular Name: 3-(cyclohexylcarbamothioylamino)benzoic 3-(cyclohexylcarbamothioylamino)…

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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) 3.14 7.35 -68.75 2 4 -1 64 277.369 5 ↓

Analogs

6349050
6349050
13774993
13774993

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Popular Name: 1-(4-tert-amylcyclohexyl)-3-(2-methoxyphenyl)thiourea 1-(4-tert-amylcyclohexyl)-3-(2-m…

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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 -0.78 -9.81 2 3 0 33 334.529 7 ↓

Analogs

3180466
3180466
3288509
3288509
6597663
6597663
6902204
6902204
6902216
6902216

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Popular Name: 1-(3-chloro-2-methyl-phenyl)-3-cyclohexyl-thiourea 1-(3-chloro-2-methyl-phenyl)-3-c…

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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) 4.29 9.05 -13.27 2 2 0 24 282.84 4 ↓

Parameters Provided:

ring.id = 3370
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 = 3370 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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