UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11535903
11535903

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Popular Name: methoxy-methyl-BLAH methoxy-methyl-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) 1.84 0.8 -14.88 0 3 0 39 247.234 1 ↓
Lo Low (pH 4.5-6) 1.84 0.91 -34.49 1 3 1 40 248.242 1 ↓

Analogs

11535652
11535652

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Popular Name: methoxy-methyl-BLAH methoxy-methyl-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) 1.84 0.8 -14.42 0 3 0 39 247.234 1 ↓
Lo Low (pH 4.5-6) 1.84 0.91 -34.74 1 3 1 40 248.242 1 ↓

Analogs

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Popular Name: (1S,4S)-4-bromo-3,4-dimethyl-1-phenyl-1$l^{5}-phosphacyclopent-2-ene (1S,4S)-4-bromo-3,4-dimethyl-1-p…

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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 6.96 -8.35 0 1 0 17 285.121 1 ↓

Analogs

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Popular Name: (1R,4S)-4-bromo-3,4-dimethyl-1-phenyl-1$l^{5}-phosphacyclopent-2-ene (1R,4S)-4-bromo-3,4-dimethyl-1-p…

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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 7.01 -7.01 0 1 0 17 285.121 1 ↓

Analogs

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Popular Name: (1S,4R)-4-bromo-3,4-dimethyl-1-phenyl-1$l^{5}-phosphacyclopent-2-ene (1S,4R)-4-bromo-3,4-dimethyl-1-p…

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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 6.8 -6.39 0 1 0 17 285.121 1 ↓

Analogs

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Popular Name: (1R,4R)-4-bromo-3,4-dimethyl-1-phenyl-1$l^{5}-phosphacyclopent-2-ene (1R,4R)-4-bromo-3,4-dimethyl-1-p…

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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 -8.4 0 1 0 17 285.121 1 ↓

Analogs

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Popular Name: (1R,4R)-4-bromo-1-phenyl-1$l^{5}-phosphacyclopent-2-ene (1R,4R)-4-bromo-1-phenyl-1$l^{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) 2.15 5.87 -8.12 0 1 0 17 257.067 1 ↓

Analogs

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Popular Name: (1S,4R)-4-bromo-1-phenyl-1$l^{5}-phosphacyclopent-2-ene (1S,4R)-4-bromo-1-phenyl-1$l^{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) 2.15 5.67 -6.38 0 1 0 17 257.067 1 ↓

Analogs

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Popular Name: (1R,4S)-4-bromo-1-phenyl-1$l^{5}-phosphacyclopent-2-ene (1R,4S)-4-bromo-1-phenyl-1$l^{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) 2.15 5.87 -7.39 0 1 0 17 257.067 1 ↓

Analogs

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Popular Name: (1S,4S)-4-bromo-1-phenyl-1$l^{5}-phosphacyclopent-2-ene (1S,4S)-4-bromo-1-phenyl-1$l^{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) 2.15 5.92 -8.35 0 1 0 17 257.067 1 ↓

Analogs

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Popular Name: (1R,4S)-3,4-dimethyl-1-phenyl-1$l^{5}-phosphacyclopent-2-ene (1R,4S)-3,4-dimethyl-1-phenyl-1$…

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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) 2.72 6.39 -6.82 0 1 0 17 206.225 1 ↓

Analogs

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Popular Name: (1R,4R)-3,4-dimethyl-1-phenyl-1$l^{5}-phosphacyclopent-2-ene (1R,4R)-3,4-dimethyl-1-phenyl-1$…

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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) 2.72 6.47 -7.53 0 1 0 17 206.225 1 ↓

Analogs

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Popular Name: (1S,4S)-3,4-dimethyl-1-phenyl-1$l^{5}-phosphacyclopent-2-ene (1S,4S)-3,4-dimethyl-1-phenyl-1$…

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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) 2.72 6.52 -7.1 0 1 0 17 206.225 1 ↓

Analogs

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Popular Name: (1S,4R)-3,4-dimethyl-1-phenyl-1$l^{5}-phosphacyclopent-2-ene (1S,4R)-3,4-dimethyl-1-phenyl-1$…

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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) 2.72 6.43 -7.33 0 1 0 17 206.225 1 ↓

Analogs

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Popular Name: (1S,4R)-4-bromo-3-ethyl-1-phenyl-1$l^{5}-phosphacyclopent-2-ene (1S,4R)-4-bromo-3-ethyl-1-phenyl…

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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) 2.97 6.94 -6.26 0 1 0 17 285.121 2 ↓

Analogs

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Popular Name: (1R,4R)-4-bromo-3-ethyl-1-phenyl-1$l^{5}-phosphacyclopent-2-ene (1R,4R)-4-bromo-3-ethyl-1-phenyl…

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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) 2.97 7.14 -8.03 0 1 0 17 285.121 2 ↓

Analogs

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Popular Name: (1S,4S)-4-bromo-3-ethyl-1-phenyl-1$l^{5}-phosphacyclopent-2-ene (1S,4S)-4-bromo-3-ethyl-1-phenyl…

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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) 2.97 7.24 -8.15 0 1 0 17 285.121 2 ↓

Analogs

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Popular Name: (1R,4S)-4-bromo-3-ethyl-1-phenyl-1$l^{5}-phosphacyclopent-2-ene (1R,4S)-4-bromo-3-ethyl-1-phenyl…

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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) 2.97 7.18 -7.17 0 1 0 17 285.121 2 ↓

Analogs

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Popular Name: (1S,4R)-4-bromo-3-methyl-1-phenyl-1$l^{5}-phosphacyclopent-2-ene (1S,4R)-4-bromo-3-methyl-1-pheny…

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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) 2.70 6.42 -7.36 0 1 0 17 271.094 1 ↓

Analogs

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Popular Name: (1R,4R)-4-bromo-3-methyl-1-phenyl-1$l^{5}-phosphacyclopent-2-ene (1R,4R)-4-bromo-3-methyl-1-pheny…

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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) 2.70 6.52 -8.16 0 1 0 17 271.094 1 ↓

Analogs

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Popular Name: (1S,4S)-4-bromo-3-methyl-1-phenyl-1$l^{5}-phosphacyclopent-2-ene (1S,4S)-4-bromo-3-methyl-1-pheny…

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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) 2.70 6.52 -8.12 0 1 0 17 271.094 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,4S)-4-bromo-3-methyl-1-phenyl-1$l^{5}-phosphacyclopent-2-ene (1R,4S)-4-bromo-3-methyl-1-pheny…

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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) 2.70 6.5 -7.31 0 1 0 17 271.094 1 ↓

Parameters Provided:

ring.id = 40397
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 = 40397 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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