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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

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) 0.96 6.81 -41.42 3 6 1 84 271.366 9 ↓
Mid Mid (pH 6-8) 0.96 5.32 -10.71 2 6 0 80 270.358 9 ↓

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) 0.96 6.77 -42 3 6 1 84 271.366 9 ↓
Mid Mid (pH 6-8) 0.96 5.19 -11.57 2 6 0 80 270.358 9 ↓

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) 0.58 4.4 -7.67 2 6 0 80 256.331 8 ↓
Mid Mid (pH 6-8) 0.58 5.87 -42.03 3 6 1 84 257.339 8 ↓

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) 0.58 4.28 -8.74 2 6 0 80 256.331 8 ↓
Mid Mid (pH 6-8) 0.58 5.83 -42.66 3 6 1 84 257.339 8 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylamino)-4-(1H-1,2,4-triazol-5-ylsulfanyl)butanoic (2S)-2-(cyclopropylamino)-4-(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) -1.49 5.78 -34.71 3 6 0 98 242.304 7 ↓

Analogs

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Popular Name: (2R)-2-(cyclopropylamino)-4-(1H-1,2,4-triazol-5-ylsulfanyl)butanoic (2R)-2-(cyclopropylamino)-4-(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) -1.49 5.75 -35.21 3 6 0 98 242.304 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(cyclopropylamino)-4-(1H-1,2,4-triazol-5-ylsulfanyl)butanamide (2S)-2-(cyclopropylamino)-4-(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) 0.01 1.89 -43.19 5 6 1 101 242.328 7 ↓
Hi High (pH 8-9.5) 0.01 0.95 -13.46 4 6 0 97 241.32 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(cyclopropylamino)-4-(1H-1,2,4-triazol-5-ylsulfanyl)butanamide (2R)-2-(cyclopropylamino)-4-(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) 0.01 1.89 -43.2 5 6 1 101 242.328 7 ↓
Hi High (pH 8-9.5) 0.01 0.87 -15.33 4 6 0 97 241.32 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) 1.04 6.68 -41.88 3 6 1 84 285.393 9 ↓
Mid Mid (pH 6-8) 1.04 5.17 -10.28 2 6 0 80 284.385 9 ↓

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) 1.04 6.59 -43.65 3 6 1 84 285.393 9 ↓
Mid Mid (pH 6-8) 1.04 5.04 -11.17 2 6 0 80 284.385 9 ↓

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) 0.67 4.15 -9.19 2 6 0 80 270.358 8 ↓
Mid Mid (pH 6-8) 0.67 5.64 -43.31 3 6 1 84 271.366 8 ↓

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) 0.67 4.28 -8.05 2 6 0 80 270.358 8 ↓
Mid Mid (pH 6-8) 0.67 5.72 -41.52 3 6 1 84 271.366 8 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylamino)-4-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]butanoic (2S)-2-(cyclopropylamino)-4-[(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) -1.40 5.58 -34.62 3 6 0 98 256.331 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(cyclopropylamino)-4-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]butanoic (2R)-2-(cyclopropylamino)-4-[(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) -1.40 5.66 -35.04 3 6 0 98 256.331 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(cyclopropylamino)-4-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]butanamide (2S)-2-(cyclopropylamino)-4-[(5-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.10 1.76 -43.69 5 6 1 101 256.355 7 ↓
Hi High (pH 8-9.5) 0.10 0.8 -13.03 4 6 0 97 255.347 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(cyclopropylamino)-4-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]butanamide (2R)-2-(cyclopropylamino)-4-[(5-…

Find On: PubMed — Wikipedia — Google

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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) 0.10 1.75 -44 5 6 1 101 256.355 7 ↓
Hi High (pH 8-9.5) 0.10 0.74 -14.84 4 6 0 97 255.347 7 ↓

Parameters Provided:

ring.id = 145182
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 = 145182 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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