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

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-2,3-O-(1-Phenylethylidene)-L-tartaricAcidDimethylEster (2R,3R)-2,3-O-(1-Phenylethyliden…

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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 7.25 -10.91 0 6 0 71 280.276 5 ↓

Analogs

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Popular Name: N-methyl-N-[[(2S,4S)-2-methyl-2-phenyl-1,3-dioxolan-4-yl]methyl]ethane-1,2-diamine N-methyl-N-[[(2S,4S)-2-methyl-2-…

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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) 0.98 2.64 -45.1 3 4 1 49 251.35 5 ↓
Mid Mid (pH 6-8) 0.98 4.65 -36.68 3 4 1 49 251.35 5 ↓
Mid Mid (pH 6-8) 0.98 5.04 -119.06 4 4 2 51 252.358 5 ↓

Analogs

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Popular Name: N-methyl-N-[[(2R,4S)-2-methyl-2-phenyl-1,3-dioxolan-4-yl]methyl]ethane-1,2-diamine N-methyl-N-[[(2R,4S)-2-methyl-2-…

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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) 0.98 2.91 -45.14 3 4 1 49 251.35 5 ↓
Mid Mid (pH 6-8) 0.98 4.61 -37.37 3 4 1 49 251.35 5 ↓
Mid Mid (pH 6-8) 0.98 5 -120.13 4 4 2 51 252.358 5 ↓

Analogs

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Popular Name: N-methyl-N-[[(2S,4R)-2-methyl-2-phenyl-1,3-dioxolan-4-yl]methyl]ethane-1,2-diamine N-methyl-N-[[(2S,4R)-2-methyl-2-…

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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) 0.98 2.88 -45.15 3 4 1 49 251.35 5 ↓
Mid Mid (pH 6-8) 0.98 4.83 -38 3 4 1 49 251.35 5 ↓
Mid Mid (pH 6-8) 0.98 5.22 -120.7 4 4 2 51 252.358 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[[(2R,4R)-2-methyl-2-phenyl-1,3-dioxolan-4-yl]methyl]ethane-1,2-diamine N-methyl-N-[[(2R,4R)-2-methyl-2-…

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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) 0.98 2.61 -45.16 3 4 1 49 251.35 5 ↓
Mid Mid (pH 6-8) 0.98 4.6 -37.06 3 4 1 49 251.35 5 ↓
Mid Mid (pH 6-8) 0.98 4.99 -119.04 4 4 2 51 252.358 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(2R,4S)-2-methyl-2-phenyl-1,3-dioxolan-4-yl]methylsulfanyl]propanoic (2S)-2-[[(2R,4S)-2-methyl-2-phen…

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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) 2.28 8.35 -49.87 0 4 -1 59 281.353 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[(2R,4S)-2-methyl-2-phenyl-1,3-dioxolan-4-yl]methylsulfanyl]propanoic (2R)-2-[[(2R,4S)-2-methyl-2-phen…

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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) 2.28 8.32 -49.97 0 4 -1 59 281.353 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(2R,4R)-2-methyl-2-phenyl-1,3-dioxolan-4-yl]methylsulfanyl]propanoic (2S)-2-[[(2R,4R)-2-methyl-2-phen…

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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) 2.28 8.37 -49.78 0 4 -1 59 281.353 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[(2R,4R)-2-methyl-2-phenyl-1,3-dioxolan-4-yl]methylsulfanyl]propanoic (2R)-2-[[(2R,4R)-2-methyl-2-phen…

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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) 2.28 8.35 -48.48 0 4 -1 59 281.353 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(2S,4R)-2-methyl-2-phenyl-1,3-dioxolan-4-yl]methylsulfanyl]propanoic 3-[[(2S,4R)-2-methyl-2-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) 2.19 8.51 -45.23 0 4 -1 59 281.353 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(2R,4R)-2-methyl-2-phenyl-1,3-dioxolan-4-yl]methylsulfanyl]propanoic 3-[[(2R,4R)-2-methyl-2-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) 2.19 8.51 -44.93 0 4 -1 59 281.353 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(2S,4S)-2-methyl-2-phenyl-1,3-dioxolan-4-yl]methylsulfanyl]propanoic 3-[[(2S,4S)-2-methyl-2-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) 2.19 8.51 -44.83 0 4 -1 59 281.353 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(2R,4S)-2-methyl-2-phenyl-1,3-dioxolan-4-yl]methylsulfanyl]propanoic 3-[[(2R,4S)-2-methyl-2-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) 2.19 8.5 -45.16 0 4 -1 59 281.353 6 ↓

Analogs

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Popular Name: 2-(4-fluorophenyl)-2-methyl-1,3-dioxolane 2-(4-fluorophenyl)-2-methyl-1,3-…

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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) 2.32 4.93 -3.85 0 2 0 18 182.194 1 ↓

Analogs

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Popular Name: methyl methyl

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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) 1.40 5.66 -8.06 2 5 0 71 311.403 7 ↓
Lo Low (pH 4.5-6) 1.40 5.99 -42.56 3 5 1 72 312.411 7 ↓

Analogs

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Popular Name: methyl methyl

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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) 1.40 5.67 -7.67 2 5 0 71 311.403 7 ↓
Lo Low (pH 4.5-6) 1.40 5.99 -43 3 5 1 72 312.411 7 ↓

Analogs

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Popular Name: methyl methyl

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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) 1.40 5.66 -7.84 2 5 0 71 311.403 7 ↓
Lo Low (pH 4.5-6) 1.40 5.98 -42.24 3 5 1 72 312.411 7 ↓

Analogs

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Popular Name: methyl methyl

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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) 1.40 5.66 -8.15 2 5 0 71 311.403 7 ↓
Lo Low (pH 4.5-6) 1.40 5.97 -42.26 3 5 1 72 312.411 7 ↓

Analogs

44227772
44227772

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Popular Name: 2-(2-methoxy-5-nitro-phenyl)-1,3-dioxolane 2-(2-methoxy-5-nitro-phenyl)-1,3…

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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) 1.66 4.18 -8.96 0 6 0 74 225.2 3 ↓

Analogs

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Popular Name: N,N'-dimethyl-N-[[(2S,4S)-2-methyl-2-phenyl-1,3-dioxolan-4-yl]methyl]ethane-1,2-diamine N,N'-dimethyl-N-[[(2S,4S)-2-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) 1.96 4.8 -40.37 2 4 1 38 265.377 6 ↓
Hi High (pH 8-9.5) 1.96 3.35 -4.04 1 4 0 34 264.369 6 ↓
Mid Mid (pH 6-8) 1.96 6.88 -113.11 3 4 2 40 266.385 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N'-dimethyl-N-[[(2R,4S)-2-methyl-2-phenyl-1,3-dioxolan-4-yl]methyl]ethane-1,2-diamine N,N'-dimethyl-N-[[(2R,4S)-2-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) 1.96 4.5 -40.11 2 4 1 38 265.377 6 ↓
Hi High (pH 8-9.5) 1.96 3.05 -4.53 1 4 0 34 264.369 6 ↓
Mid Mid (pH 6-8) 1.96 6.88 -114.93 3 4 2 40 266.385 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N'-dimethyl-N-[[(2S,4R)-2-methyl-2-phenyl-1,3-dioxolan-4-yl]methyl]ethane-1,2-diamine N,N'-dimethyl-N-[[(2S,4R)-2-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) 1.96 4.76 -40.45 2 4 1 38 265.377 6 ↓
Hi High (pH 8-9.5) 1.96 3.31 -4.15 1 4 0 34 264.369 6 ↓
Mid Mid (pH 6-8) 1.96 7.09 -116.49 3 4 2 40 266.385 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N'-dimethyl-N-[[(2R,4R)-2-methyl-2-phenyl-1,3-dioxolan-4-yl]methyl]ethane-1,2-diamine N,N'-dimethyl-N-[[(2R,4R)-2-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) 1.96 4.77 -40.5 2 4 1 38 265.377 6 ↓
Hi High (pH 8-9.5) 1.96 3.32 -4.28 1 4 0 34 264.369 6 ↓
Mid Mid (pH 6-8) 1.96 7.1 -116.04 3 4 2 40 266.385 6 ↓

Parameters Provided:

ring.id = 12214
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 = 12214 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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