UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

1721620
1721620

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Popular Name: 1-methoxycarbonyl-2,3-diphenyl-cycloprop-2-ene-1-carboxylic 1-methoxycarbonyl-2,3-diphenyl-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) 2.54 12.06 -57.32 0 4 -1 66 293.298 5 ↓

Analogs

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Popular Name: (1R)-2-methyl-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3-phenyl-cycloprop-2-ene-1-carboxamide (1R)-2-methyl-N-[(8-methylimidaz…

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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 10.58 -13.18 1 4 0 46 317.392 4 ↓
Mid Mid (pH 6-8) 2.65 11.08 -34.67 2 4 1 48 318.4 4 ↓

Analogs

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Popular Name: (1S)-2-methyl-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3-phenyl-cycloprop-2-ene-1-carboxamide (1S)-2-methyl-N-[(8-methylimidaz…

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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 10.58 -13.71 1 4 0 46 317.392 4 ↓
Mid Mid (pH 6-8) 2.65 11.08 -35.28 2 4 1 48 318.4 4 ↓

Analogs

4521668
4521668

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Popular Name: cycloprop-2-ene-1-carboxylic cycloprop-2-ene-1-carboxylic

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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) -0.72 3.62 -46.84 0 2 -1 40 83.066 1 ↓

Analogs

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Popular Name: 4-ethylbicyclo[4.1.0]hepta-1(6),2,4-triene 4-ethylbicyclo[4.1.0]hepta-1(6),…

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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) 2.83 6.85 -3.88 0 0 0 0 118.179 1 ↓

Analogs

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Popular Name: (1R)-N-[2-(1-ethylpropyl)-4-methyl-pyrazol-3-yl]-2-methyl-3-phenyl-cycloprop-2-ene-1-carboxamide (1R)-N-[2-(1-ethylpropyl)-4-meth…

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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) 3.64 11.79 -11.24 1 4 0 47 323.44 6 ↓

Analogs

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Popular Name: (1S)-N-[2-(1-ethylpropyl)-4-methyl-pyrazol-3-yl]-2-methyl-3-phenyl-cycloprop-2-ene-1-carboxamide (1S)-N-[2-(1-ethylpropyl)-4-meth…

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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) 3.64 11.79 -11.67 1 4 0 47 323.44 6 ↓

Analogs

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Popular Name: trimethyl(phenyl)BLAH trimethyl(phenyl)BLAH

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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) 4.82 10.5 -8.87 0 1 0 12 247.341 1 ↓
Lo Low (pH 4.5-6) 4.82 10.88 -29.93 1 1 1 14 248.349 1 ↓

Analogs

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Popular Name: trimethyl(phenyl)BLAH trimethyl(phenyl)BLAH

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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) 4.82 10.5 -8.85 0 1 0 12 247.341 1 ↓
Lo Low (pH 4.5-6) 4.82 10.88 -29.93 1 1 1 14 248.349 1 ↓

Parameters Provided:

ring.id = 13911
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 = 13911 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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