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

Analogs

23366734
23366734
12575656
12575656
12575665
12575665

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Popular Name: (3R)-N-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-8-methoxy-chroman-3-amine (3R)-N-[(5-chloro-1,3-dimethyl-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) 2.37 5.35 -9.47 1 5 0 48 321.808 4 ↓

Analogs

23366730
23366730

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-8-methoxy-chroman-3-amine (3S)-N-[(5-chloro-1,3-dimethyl-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) 2.37 5.34 -10.01 1 5 0 48 321.808 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(3-isopropyl-5-methoxy-1-methyl-pyrazol-4-yl)methyl]chroman-3-amine (3R)-N-[(3-isopropyl-5-methoxy-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) 2.99 5.15 -7.27 1 5 0 48 315.417 5 ↓
Lo Low (pH 4.5-6) 2.99 5.28 -29.7 2 5 1 50 316.425 5 ↓
Lo Low (pH 4.5-6) 2.99 6.35 -45.4 2 5 1 53 316.425 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(3-isopropyl-5-methoxy-1-methyl-pyrazol-4-yl)methyl]chroman-3-amine (3S)-N-[(3-isopropyl-5-methoxy-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) 2.99 5.13 -7.15 1 5 0 48 315.417 5 ↓
Lo Low (pH 4.5-6) 2.99 5.26 -29.54 2 5 1 50 316.425 5 ↓
Lo Low (pH 4.5-6) 2.99 6.34 -45.59 2 5 1 53 316.425 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4S)-N3-methyl-N3-[(1-methylpyrazol-4-yl)methyl]chromane-3,4-diamine (3S,4S)-N3-methyl-N3-[(1-methylp…

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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) -0.91 3.19 -50.66 3 5 1 58 273.36 3 ↓
Hi High (pH 8-9.5) -0.91 2.9 -7.97 2 5 0 56 272.352 3 ↓
Lo Low (pH 4.5-6) -0.91 5.11 -136.96 4 5 2 59 274.368 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4S)-N3-methyl-N3-[(1-methylpyrazol-4-yl)methyl]chromane-3,4-diamine (3R,4S)-N3-methyl-N3-[(1-methylp…

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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) -0.91 2.61 -51.56 3 5 1 58 273.36 3 ↓
Hi High (pH 8-9.5) -0.91 2.29 -7.91 2 5 0 56 272.352 3 ↓
Lo Low (pH 4.5-6) -0.91 4.7 -136.92 4 5 2 59 274.368 3 ↓

Parameters Provided:

ring.id = 140365
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 = 140365 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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