UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

14158831
14158831

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Popular Name: N-(2-furylmethyl)-3-(1-methyltetrazol-5-yl)aniline N-(2-furylmethyl)-3-(1-methyltet…

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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) 1.92 4.65 -12.66 1 6 0 69 255.281 4 ↓

Analogs

14158831
14158831

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Popular Name: N-[(5-methyl-2-furyl)methyl]-3-(1-methyltetrazol-5-yl)aniline N-[(5-methyl-2-furyl)methyl]-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) 2.15 5.45 -12.76 1 6 0 69 269.308 4 ↓

Analogs

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Popular Name: N-[(5-bromo-2-furyl)methyl]-3-(1-methyltetrazol-5-yl)aniline N-[(5-bromo-2-furyl)methyl]-3-(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) 2.86 5.38 -12.73 1 6 0 69 334.177 4 ↓

Analogs

14158831
14158831

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Popular Name: N-[(1S)-1-(2-furyl)ethyl]-3-(1-methyltetrazol-5-yl)aniline N-[(1S)-1-(2-furyl)ethyl]-3-(1-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) 2.48 5.34 -12.84 1 6 0 69 269.308 4 ↓

Analogs

14158831
14158831

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Popular Name: N-[(1R)-1-(2-furyl)ethyl]-3-(1-methyltetrazol-5-yl)aniline N-[(1R)-1-(2-furyl)ethyl]-3-(1-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) 2.48 5.34 -12.83 1 6 0 69 269.308 4 ↓

Analogs

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Popular Name: N-[(1R)-1-(5-methyl-2-furyl)ethyl]-3-(1-methyltetrazol-5-yl)aniline N-[(1R)-1-(5-methyl-2-furyl)ethy…

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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 6.16 -13.06 1 6 0 69 283.335 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(5-methyl-2-furyl)ethyl]-3-(1-methyltetrazol-5-yl)aniline N-[(1S)-1-(5-methyl-2-furyl)ethy…

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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 6.16 -13.1 1 6 0 69 283.335 4 ↓

Analogs

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Popular Name: N-(2-furylmethyl)-3-(1H-tetrazol-5-yl)aniline N-(2-furylmethyl)-3-(1H-tetrazol…

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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) 1.86 3.61 -43.46 1 6 -1 78 240.246 4 ↓
Lo Low (pH 4.5-6) 1.86 3.7 -10 2 6 0 80 241.254 4 ↓

Analogs

20496274
20496274
757548
757548
6729701
6729701

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Popular Name: N-[(5-methyl-2-furyl)methyl]-3-(1H-tetrazol-5-yl)aniline N-[(5-methyl-2-furyl)methyl]-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) 2.08 4.44 -43.69 1 6 -1 78 254.273 4 ↓
Lo Low (pH 4.5-6) 2.08 4.52 -10.21 2 6 0 80 255.281 4 ↓

Analogs

6730676
6730676

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Popular Name: N-[(5-bromo-2-furyl)methyl]-3-(1H-tetrazol-5-yl)aniline N-[(5-bromo-2-furyl)methyl]-3-(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) 2.79 4.35 -43.1 1 6 -1 78 319.142 4 ↓
Lo Low (pH 4.5-6) 2.79 4.43 -10.12 2 6 0 80 320.15 4 ↓

Analogs

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Popular Name: N-[(1S)-1-(2-furyl)ethyl]-3-(1H-tetrazol-5-yl)aniline N-[(1S)-1-(2-furyl)ethyl]-3-(1H-…

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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) 2.42 4.32 -43.8 1 6 -1 78 254.273 4 ↓

Analogs

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Popular Name: N-[(1R)-1-(2-furyl)ethyl]-3-(1H-tetrazol-5-yl)aniline N-[(1R)-1-(2-furyl)ethyl]-3-(1H-…

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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) 2.42 4.32 -43.79 1 6 -1 78 254.273 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(5-methyl-2-furyl)ethyl]-3-(1H-tetrazol-5-yl)aniline N-[(1R)-1-(5-methyl-2-furyl)ethy…

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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) 2.64 5.14 -44.06 1 6 -1 78 268.3 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(5-methyl-2-furyl)ethyl]-3-(1H-tetrazol-5-yl)aniline N-[(1S)-1-(5-methyl-2-furyl)ethy…

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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) 2.64 5.14 -44.11 1 6 -1 78 268.3 4 ↓

Analogs

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Popular Name: N-[(5-iodo-2-furyl)methyl]-3-(1-methyltetrazol-5-yl)aniline N-[(5-iodo-2-furyl)methyl]-3-(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) 3.13 5.85 -12.43 1 6 0 69 381.177 4 ↓

Analogs

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Popular Name: N-[(5-nitro-2-furyl)methyl]-3-(1H-tetrazol-5-yl)aniline N-[(5-nitro-2-furyl)methyl]-3-(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) 1.94 4.32 -47.73 1 9 -1 124 285.243 5 ↓
Lo Low (pH 4.5-6) 1.94 4.41 -15.64 2 9 0 125 286.251 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5-iodo-2-furyl)methyl]-3-(1H-tetrazol-5-yl)aniline N-[(5-iodo-2-furyl)methyl]-3-(1H…

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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) 3.06 4.82 -42.78 1 6 -1 78 366.142 4 ↓
Lo Low (pH 4.5-6) 3.06 4.91 -9.81 2 6 0 80 367.15 4 ↓

Analogs

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Popular Name: N-[[5-(methylsulfanylmethyl)-2-furyl]methyl]-3-(1H-tetrazol-5-yl)aniline N-[[5-(methylsulfanylmethyl)-2-f…

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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) 2.59 5.68 -44.46 1 6 -1 78 300.367 6 ↓
Lo Low (pH 4.5-6) 2.59 5.75 -11.21 2 6 0 80 301.375 6 ↓

Parameters Provided:

ring.id = 127502
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 = 127502 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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