UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36640157
36640157
2288483
2288483
2288484
2288484

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Popular Name: (2S)-1-(3,6-dibromocarbazol-9-yl)-3-(4-isopropylanilino)propan-2-ol (2S)-1-(3,6-dibromocarbazol-9-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) 7.46 11.88 -8.84 2 3 0 37 516.277 6 ↓

Analogs

36640156
36640156
2288483
2288483

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Popular Name: (2R)-1-(3,6-dibromocarbazol-9-yl)-3-(4-isopropylanilino)propan-2-ol (2R)-1-(3,6-dibromocarbazol-9-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) 7.46 11.81 -8.92 2 3 0 37 516.277 6 ↓

Analogs

36640163
36640163
243488
243488
3893660
3893660

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Popular Name: (2S)-1-carbazol-9-yl-3-(4-isopropylanilino)propan-2-ol (2S)-1-carbazol-9-yl-3-(4-isopro…

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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) 5.89 10.65 -8.99 2 3 0 37 358.485 6 ↓

Analogs

36640162
36640162
243488
243488

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Popular Name: (2R)-1-carbazol-9-yl-3-(4-isopropylanilino)propan-2-ol (2R)-1-carbazol-9-yl-3-(4-isopro…

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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) 5.89 10.58 -9.05 2 3 0 37 358.485 6 ↓

Analogs

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Popular Name: (2R)-1-carbazol-9-yl-3-(3-chloro-4-methyl-anilino)propan-2-ol (2R)-1-carbazol-9-yl-3-(3-chloro…

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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) 5.43 -2.55 -10.29 2 3 0 37 364.876 5 ↓

Parameters Provided:

ring.id = 105619
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 = 105619 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=105619&filter.purchasability=annotated

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