UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (1R)-2-carbazol-9-yl-1-cyclopropyl-N-methyl-ethanamine (1R)-2-carbazol-9-yl-1-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) 4.18 10.13 -38.03 2 2 1 22 265.38 4 ↓
Hi High (pH 8-9.5) 4.18 9.46 -5 1 2 0 17 264.372 4 ↓

Analogs

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Popular Name: (1S)-2-carbazol-9-yl-1-cyclopropyl-N-methyl-ethanamine (1S)-2-carbazol-9-yl-1-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) 4.18 10.38 -37.46 2 2 1 22 265.38 4 ↓
Hi High (pH 8-9.5) 4.18 9.47 -5.66 1 2 0 17 264.372 4 ↓

Analogs

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Popular Name: (1R)-2-carbazol-9-yl-1-cyclopropyl-N-ethyl-ethanamine (1R)-2-carbazol-9-yl-1-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) 4.55 11.02 -35.94 2 2 1 22 279.407 5 ↓
Hi High (pH 8-9.5) 4.55 10.37 -4.78 1 2 0 17 278.399 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-carbazol-9-yl-1-cyclopropyl-N-ethyl-ethanamine (1S)-2-carbazol-9-yl-1-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) 4.55 11.19 -35.83 2 2 1 22 279.407 5 ↓
Hi High (pH 8-9.5) 4.55 10.4 -5.49 1 2 0 17 278.399 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-carbazol-9-yl-1-cyclopropyl-ethanamine (1R)-2-carbazol-9-yl-1-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) 3.27 8.9 -42.64 3 2 1 33 251.353 3 ↓
Hi High (pH 8-9.5) 3.27 8.55 -5.21 2 2 0 31 250.345 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-carbazol-9-yl-1-cyclopropyl-ethanamine (1S)-2-carbazol-9-yl-1-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) 3.27 8.9 -42.63 3 2 1 33 251.353 3 ↓
Hi High (pH 8-9.5) 3.27 8.57 -5.91 2 2 0 31 250.345 3 ↓

Analogs

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Popular Name: (2R)-2-amino-3-carbazol-9-yl-2-cyclopropyl-propanenitrile (2R)-2-amino-3-carbazol-9-yl-2-c…

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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) 3.66 8.34 -11.72 2 3 0 55 275.355 3 ↓

Analogs

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Popular Name: (2S)-2-amino-3-carbazol-9-yl-2-cyclopropyl-propanenitrile (2S)-2-amino-3-carbazol-9-yl-2-c…

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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) 3.66 8.73 -10.31 2 3 0 55 275.355 3 ↓

Analogs

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Popular Name: (1R)-2-carbazol-9-yl-1-cyclopropyl-ethanol (1R)-2-carbazol-9-yl-1-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) 3.76 8.27 -8.06 1 2 0 25 251.329 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-carbazol-9-yl-1-cyclopropyl-ethanol (1S)-2-carbazol-9-yl-1-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) 3.76 8.53 -7.83 1 2 0 25 251.329 3 ↓

Parameters Provided:

ring.id = 269872
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 = 269872 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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