UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12582046
12582046
15617578
15617578

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Popular Name: N-[(1R)-1-methylhexyl]-3-(1-propyl-5-pyrrolidin-1-ylsulfonyl-benzimidazol-2-yl)propanamide N-[(1R)-1-methylhexyl]-3-(1-prop…

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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) 4.51 10.31 -17.3 1 7 0 84 462.66 12 ↓
Lo Low (pH 4.5-6) 4.51 10.6 -39.72 2 7 1 86 463.668 12 ↓

Analogs

12582046
12582046
15617578
15617578

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Popular Name: N-[(1S)-1-methylhexyl]-3-(1-propyl-5-pyrrolidin-1-ylsulfonyl-benzimidazol-2-yl)propanamide N-[(1S)-1-methylhexyl]-3-(1-prop…

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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) 4.51 10.31 -17.36 1 7 0 84 462.66 12 ↓
Lo Low (pH 4.5-6) 4.51 10.6 -39.75 2 7 1 86 463.668 12 ↓

Analogs

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Popular Name: N-[(1S)-2-methoxy-1-methyl-ethyl]-3-(1-propyl-5-pyrrolidin-1-ylsulfonyl-benzimidazol-2-yl)propanamid N-[(1S)-2-methoxy-1-methyl-ethyl…

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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) 2.04 6.23 -16.05 1 8 0 94 436.578 10 ↓
Lo Low (pH 4.5-6) 2.04 6.52 -39.63 2 8 1 95 437.586 10 ↓

Analogs

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Popular Name: N-[(1R)-2-methoxy-1-methyl-ethyl]-3-(1-propyl-5-pyrrolidin-1-ylsulfonyl-benzimidazol-2-yl)propanamid N-[(1R)-2-methoxy-1-methyl-ethyl…

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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) 2.04 6.23 -16.69 1 8 0 94 436.578 10 ↓
Lo Low (pH 4.5-6) 2.04 6.52 -39.63 2 8 1 95 437.586 10 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 3.08 8.18 -13.69 0 7 0 82 411.549 8 ↓

Analogs

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Popular Name: N-isopropyl-N-[2-(1-isopropyl-5-pyrrolidin-1-ylsulfonyl-benzimidazol-2-yl)sulfanylethyl]propan-2-ami N-isopropyl-N-[2-(1-isopropyl-5-…

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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) 4.22 10.5 -41.99 1 6 1 60 453.698 9 ↓
Hi High (pH 8-9.5) 4.22 8.43 -12.41 0 6 0 58 452.69 9 ↓
Lo Low (pH 4.5-6) 4.22 10.91 -99.04 2 6 2 61 454.706 9 ↓

Analogs

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Popular Name: N-(2-diethylaminoethyl)-3-(1-propyl-5-pyrrolidin-1-ylsulfonyl-benzimidazol-2-yl)propanamide N-(2-diethylaminoethyl)-3-(1-pro…

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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) 2.51 8.87 -51.87 2 8 1 89 464.656 12 ↓
Hi High (pH 8-9.5) 2.51 6.65 -18.25 1 8 0 88 463.648 12 ↓
Lo Low (pH 4.5-6) 2.51 9.26 -92.43 3 8 2 90 465.664 12 ↓

Parameters Provided:

ring.id = 3213
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 = 3213 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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