UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2R)-2-(cyclopropylmethyl)azepane (2R)-2-(cyclopropylmethyl)azepane

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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 6.07 -34.92 2 1 1 17 154.277 2 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylmethyl)azepane (2S)-2-(cyclopropylmethyl)azepane

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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 5.95 -32.2 2 1 1 17 154.277 2 ↓

Analogs

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Popular Name: (1R)-1-[(2S)-azepan-2-yl]-1-cyclopropyl-ethanol (1R)-1-[(2S)-azepan-2-yl]-1-cycl…

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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) 2.17 3.71 -34.38 3 2 1 37 184.303 2 ↓

Analogs

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Popular Name: (1S)-1-[(2S)-azepan-2-yl]-1-cyclopropyl-ethanol (1S)-1-[(2S)-azepan-2-yl]-1-cycl…

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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) 2.17 3.74 -37 3 2 1 37 184.303 2 ↓

Analogs

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Popular Name: (1R)-1-[(2R)-azepan-2-yl]-1-cyclopropyl-ethanol (1R)-1-[(2R)-azepan-2-yl]-1-cycl…

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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) 2.17 3.6 -35.37 3 2 1 37 184.303 2 ↓

Analogs

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Popular Name: (1S)-1-[(2R)-azepan-2-yl]-1-cyclopropyl-ethanol (1S)-1-[(2R)-azepan-2-yl]-1-cycl…

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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) 2.17 3.55 -33.43 3 2 1 37 184.303 2 ↓

Analogs

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Popular Name: (R)-[(2R)-azepan-2-yl]-cyclopropyl-methanol (R)-[(2R)-azepan-2-yl]-cycloprop…

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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) 1.72 3.14 -37.73 3 2 1 37 170.276 2 ↓

Analogs

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Popular Name: (R)-[(2S)-azepan-2-yl]-cyclopropyl-methanol (R)-[(2S)-azepan-2-yl]-cycloprop…

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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) 1.72 2.65 -35.08 3 2 1 37 170.276 2 ↓

Analogs

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Popular Name: (S)-[(2R)-azepan-2-yl]-cyclopropyl-methanol (S)-[(2R)-azepan-2-yl]-cycloprop…

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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) 1.72 3.1 -37.44 3 2 1 37 170.276 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-[(2S)-azepan-2-yl]-cyclopropyl-methanol (S)-[(2S)-azepan-2-yl]-cycloprop…

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) 1.72 3.08 -36.42 3 2 1 37 170.276 2 ↓

Parameters Provided:

ring.id = 38877
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 = 38877 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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