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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: (4S)-2,7-diamino-4-(2,4-dimethylphenyl)-4H-chromene-3-carbonitrile (4S)-2,7-diamino-4-(2,4-dimethyl…

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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) 2.62 5.26 -10.17 4 4 0 85 291.354 1 ↓
Lo Low (pH 4.5-6) 2.62 5.59 -47.47 5 4 1 87 292.362 1 ↓

Analogs

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Popular Name: (4R)-2,7-diamino-4-(2,4-dimethylphenyl)-4H-chromene-3-carbonitrile (4R)-2,7-diamino-4-(2,4-dimethyl…

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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) 2.62 5.29 -9.95 4 4 0 85 291.354 1 ↓
Lo Low (pH 4.5-6) 2.62 5.63 -46.9 5 4 1 87 292.362 1 ↓

Analogs

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Popular Name: (4S)-2-amino-6-chloro-7-hydroxy-4-(o-tolyl)-4H-chromene-3-carbonitrile (4S)-2-amino-6-chloro-7-hydroxy-…

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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) 3.50 4.4 -12.52 3 4 0 79 312.756 1 ↓
Mid Mid (pH 6-8) 3.50 5.19 -40.6 2 4 -1 82 311.748 1 ↓
Lo Low (pH 4.5-6) 3.50 4.74 -56.01 4 4 1 81 313.764 1 ↓

Analogs

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Popular Name: (4R)-2-amino-6-chloro-7-hydroxy-4-(o-tolyl)-4H-chromene-3-carbonitrile (4R)-2-amino-6-chloro-7-hydroxy-…

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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) 3.50 4.4 -12.47 3 4 0 79 312.756 1 ↓
Mid Mid (pH 6-8) 3.50 5.18 -40.59 2 4 -1 82 311.748 1 ↓
Lo Low (pH 4.5-6) 3.50 4.73 -55.97 4 4 1 81 313.764 1 ↓

Analogs

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Popular Name: (4S)-2-amino-6-chloro-7-hydroxy-4-(m-tolyl)-4H-chromene-3-carbonitrile (4S)-2-amino-6-chloro-7-hydroxy-…

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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) 3.53 4.59 -12.43 3 4 0 79 312.756 1 ↓
Mid Mid (pH 6-8) 3.53 5.38 -40.56 2 4 -1 82 311.748 1 ↓
Lo Low (pH 4.5-6) 3.53 4.92 -55.75 4 4 1 81 313.764 1 ↓

Analogs

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Popular Name: (4R)-2-amino-6-chloro-7-hydroxy-4-(m-tolyl)-4H-chromene-3-carbonitrile (4R)-2-amino-6-chloro-7-hydroxy-…

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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) 3.53 4.59 -12.46 3 4 0 79 312.756 1 ↓
Mid Mid (pH 6-8) 3.53 5.38 -40.53 2 4 -1 82 311.748 1 ↓
Lo Low (pH 4.5-6) 3.53 4.93 -55.67 4 4 1 81 313.764 1 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 4.19 9.96 -7.93 2 5 0 65 384.451 7 ↓
Mid Mid (pH 6-8) 4.19 10.05 -23.06 3 5 0 66 385.459 7 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 4.19 9.97 -8.01 2 5 0 65 384.451 7 ↓
Mid Mid (pH 6-8) 4.19 10.04 -22.76 3 5 0 66 385.459 7 ↓

Analogs

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Popular Name: N-acetyl-N-[(4R)-4-(4-chlorophenyl)-3-cyano-7-(diethylamino)-4H-chromen-2-yl]acetamide N-acetyl-N-[(4R)-4-(4-chlorophen…

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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) 3.59 14.33 -16.76 0 6 0 74 437.927 5 ↓
Lo Low (pH 4.5-6) 3.59 14.38 -60.04 1 6 0 75 438.935 5 ↓

Analogs

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Popular Name: N-acetyl-N-[(4S)-4-(4-chlorophenyl)-3-cyano-7-(diethylamino)-4H-chromen-2-yl]acetamide N-acetyl-N-[(4S)-4-(4-chlorophen…

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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) 3.59 14.39 -16.67 0 6 0 74 437.927 5 ↓
Lo Low (pH 4.5-6) 3.59 14.35 -60.01 1 6 0 75 438.935 5 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 5.18 10.12 -11.9 0 5 0 58 454.368 7 ↓
Mid Mid (pH 6-8) 5.18 10.19 -67.16 1 5 0 59 455.376 7 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 5.18 10.12 -12.01 0 5 0 58 454.368 7 ↓
Mid Mid (pH 6-8) 5.18 10.19 -66.45 1 5 0 59 455.376 7 ↓

Analogs

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Popular Name: N'-[(4R)-4-(4-chlorophenyl)-3-cyano-7-(diethylamino)-4H-chromen-2-yl]-N,N-dimethyl-formamidine N'-[(4R)-4-(4-chlorophenyl)-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) 4.72 13.4 -11.38 0 5 0 52 408.933 6 ↓
Mid Mid (pH 6-8) 4.72 14 -35.39 1 5 1 53 409.941 6 ↓
Lo Low (pH 4.5-6) 4.72 14.02 -47.74 2 5 0 55 410.949 6 ↓

Analogs

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Popular Name: N'-[(4S)-4-(4-chlorophenyl)-3-cyano-7-(diethylamino)-4H-chromen-2-yl]-N,N-dimethyl-formamidine N'-[(4S)-4-(4-chlorophenyl)-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) 4.72 13.4 -11.5 0 5 0 52 408.933 6 ↓
Mid Mid (pH 6-8) 4.72 13.99 -35.36 1 5 1 53 409.941 6 ↓
Lo Low (pH 4.5-6) 4.72 14.02 -47.79 2 5 0 55 410.949 6 ↓

Analogs

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Popular Name: N'-[(4R)-4-(4-chlorophenyl)-3-cyano-7-(diethylamino)-4H-chromen-2-yl]formamidine N'-[(4R)-4-(4-chlorophenyl)-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) 4.10 10.32 -12.19 2 5 0 75 380.879 5 ↓
Mid Mid (pH 6-8) 4.10 11.2 -41.74 3 5 1 76 381.887 5 ↓
Lo Low (pH 4.5-6) 4.10 11.3 -44.47 4 5 0 77 382.895 5 ↓

Analogs

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Popular Name: N'-[(4S)-4-(4-chlorophenyl)-3-cyano-7-(diethylamino)-4H-chromen-2-yl]formamidine N'-[(4S)-4-(4-chlorophenyl)-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) 4.10 10.32 -12.31 2 5 0 75 380.879 5 ↓
Mid Mid (pH 6-8) 4.10 11.19 -41.71 3 5 1 76 381.887 5 ↓
Lo Low (pH 4.5-6) 4.10 11.3 -44.35 4 5 0 77 382.895 5 ↓

Analogs

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Popular Name: ethyl ethyl

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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 10.41 -7.5 2 5 0 65 400.906 7 ↓
Mid Mid (pH 6-8) 4.70 10.51 -22.81 3 5 0 66 401.914 7 ↓

Analogs

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Popular Name: ethyl ethyl

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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 10.42 -7.52 2 5 0 65 400.906 7 ↓
Mid Mid (pH 6-8) 4.70 10.49 -22.48 3 5 0 66 401.914 7 ↓

Parameters Provided:

ring.id = 126945
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 = 126945 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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