UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41513925
41513925
41514948
41514948
41514117
41514117

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Popular Name: (2Z)-7-[(4-benzylpiperazin-1-yl)methyl]-6-hydroxy-4-methyl-2-[(1-methylindol-3-yl)methylene]benzofur (2Z)-7-[(4-benzylpiperazin-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) 4.82 13.28 -51.5 2 6 1 63 494.615 5 ↓
Hi High (pH 8-9.5) 4.82 11.56 -46.17 0 6 -1 65 492.599 5 ↓
Mid Mid (pH 6-8) 4.82 13.24 -50.57 2 6 1 63 494.615 5 ↓

Analogs

41513927
41513927
41514951
41514951
41514120
41514120

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Popular Name: (2E)-7-[(4-benzylpiperazin-1-yl)methyl]-2-[(1-ethylindol-3-yl)methylene]-6-hydroxy-4-methyl-benzofur (2E)-7-[(4-benzylpiperazin-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) 5.19 14.03 -42.65 2 6 1 63 508.642 6 ↓
Hi High (pH 8-9.5) 5.19 12.31 -46.08 0 6 -1 65 506.626 6 ↓
Mid Mid (pH 6-8) 5.19 11.74 -10.56 1 6 0 62 507.634 6 ↓

Analogs

41513930
41513930
41514954
41514954
41514121
41514121

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Popular Name: (2Z)-7-[(4-benzylpiperazin-1-yl)methyl]-6-hydroxy-2-[(5-methoxy-1-methyl-indol-3-yl)methylene]-4-met (2Z)-7-[(4-benzylpiperazin-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) 4.85 12.57 -54.52 2 7 1 72 524.641 6 ↓
Hi High (pH 8-9.5) 4.85 10.85 -48.12 0 7 -1 74 522.625 6 ↓
Mid Mid (pH 6-8) 4.85 13.14 -38.71 1 7 0 75 523.633 6 ↓

Analogs

22935532
22935532
20647490
20647490

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Popular Name: (2Z)-7-[(4-benzylpiperazin-1-yl)methyl]-6-hydroxy-2-[(1-methylindol-3-yl)methylene]benzofuran-3-one (2Z)-7-[(4-benzylpiperazin-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) 4.44 12.63 -52.17 2 6 1 63 480.588 5 ↓
Hi High (pH 8-9.5) 4.44 10.9 -45.44 0 6 -1 65 478.572 5 ↓
Mid Mid (pH 6-8) 4.44 10.33 -11.84 1 6 0 62 479.58 5 ↓

Analogs

22935496
22935496
20649180
20649180

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Popular Name: (2E)-7-[(4-benzylpiperazin-1-yl)methyl]-2-[(1-ethylindol-3-yl)methylene]-6-hydroxy-benzofuran-3-one (2E)-7-[(4-benzylpiperazin-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) 4.82 13.39 -43.25 2 6 1 63 494.615 6 ↓
Hi High (pH 8-9.5) 4.82 11.67 -45.17 0 6 -1 65 492.599 6 ↓
Mid Mid (pH 6-8) 4.82 11.1 -10.75 1 6 0 62 493.607 6 ↓

Analogs

22935530
22935530
20649412
20649412

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Popular Name: (2Z)-7-[(4-benzylpiperazin-1-yl)methyl]-6-hydroxy-2-[(5-methoxy-1-methyl-indol-3-yl)methylene]benzof (2Z)-7-[(4-benzylpiperazin-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) 4.47 11.92 -55.32 2 7 1 72 510.614 6 ↓
Hi High (pH 8-9.5) 4.47 10.2 -47.51 0 7 -1 74 508.598 6 ↓
Mid Mid (pH 6-8) 4.47 9.63 -13.91 1 7 0 71 509.606 6 ↓

Analogs

32501345
32501345
22935512
22935512
20649929
20649929

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Popular Name: (2Z)-7-[(4-benzylpiperazin-1-yl)methyl]-2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-6-hydroxy-benzof (2Z)-7-[(4-benzylpiperazin-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) 4.85 12.84 -55.2 2 7 1 72 524.641 7 ↓
Hi High (pH 8-9.5) 4.85 11.11 -47.21 0 7 -1 74 522.625 7 ↓
Mid Mid (pH 6-8) 4.85 10.55 -13.47 1 7 0 71 523.633 7 ↓

Parameters Provided:

ring.id = 549955
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 = 549955 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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