UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

45629943
45629943
45629945
45629945
45629947
45629947
45629949
45629949

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Popular Name: N-[[(1R)-1-cyclohex-3-enyl]methyl]-3-pyrrolidin-1-yl-propan-1-amine N-[[(1R)-1-cyclohex-3-enyl]methy…

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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) 2.25 8.62 -107.71 3 2 2 21 224.392 6 ↓
Mid Mid (pH 6-8) 2.25 6.09 -42.12 2 2 1 20 223.384 6 ↓

Analogs

45629943
45629943
45629945
45629945
45629947
45629947
45629949
45629949

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1S)-1-cyclohex-3-enyl]methyl]-3-pyrrolidin-1-yl-propan-1-amine N-[[(1S)-1-cyclohex-3-enyl]methy…

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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) 2.25 8.61 -107.62 3 2 2 21 224.392 6 ↓
Mid Mid (pH 6-8) 2.25 6.08 -42.17 2 2 1 20 223.384 6 ↓

Analogs

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Popular Name: (2S)-N-[[(1R)-cyclohex-3-en-1-yl]methyl]-2-methyl-3-pyrrolidin-1-yl-propan-1-amine (2S)-N-[[(1R)-cyclohex-3-en-1-yl…

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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) 2.73 9.44 -103.5 3 2 2 21 238.419 6 ↓
Mid Mid (pH 6-8) 2.73 7.26 -40.34 2 2 1 20 237.411 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[[(1R)-cyclohex-3-en-1-yl]methyl]-2-methyl-3-pyrrolidin-1-yl-propan-1-amine (2R)-N-[[(1R)-cyclohex-3-en-1-yl…

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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) 2.73 9.43 -109.19 3 2 2 21 238.419 6 ↓
Mid Mid (pH 6-8) 2.73 7.34 -37.69 2 2 1 20 237.411 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-2-methyl-3-pyrrolidin-1-yl-propan-1-amine (2S)-N-[[(1S)-cyclohex-3-en-1-yl…

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) 2.73 9.44 -103.65 3 2 2 21 238.419 6 ↓
Mid Mid (pH 6-8) 2.73 7.26 -40.4 2 2 1 20 237.411 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-2-methyl-3-pyrrolidin-1-yl-propan-1-amine (2R)-N-[[(1S)-cyclohex-3-en-1-yl…

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) 2.73 9.43 -108.96 3 2 2 21 238.419 6 ↓
Mid Mid (pH 6-8) 2.73 7.34 -37.66 2 2 1 20 237.411 6 ↓

Parameters Provided:

ring.id = 25704
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 = 25704 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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