UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-amino-N-cycloheptyl-1-isopropyl-N-methyl-pyrrole-2-carboxamide 4-amino-N-cycloheptyl-1-isopropy…

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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) 3.16 7.09 -8.29 2 4 0 51 277.412 3 ↓

Analogs

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Popular Name: 4-amino-N-cycloheptyl-N-methyl-1H-pyrrole-2-carboxamide 4-amino-N-cycloheptyl-N-methyl-1…

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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) 2.35 4.53 -10.45 3 4 0 62 235.331 2 ↓
Mid Mid (pH 6-8) 1.91 3.26 -50.45 3 4 1 60 236.339 2 ↓

Analogs

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Popular Name: 4-amino-N-cycloheptyl-1-ethyl-N-methyl-pyrrole-2-carboxamide 4-amino-N-cycloheptyl-1-ethyl-N-…

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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) 2.80 6.54 -7.99 2 4 0 51 263.385 3 ↓

Analogs

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Popular Name: 4-amino-N-cycloheptyl-N,1-dimethyl-pyrrole-2-carboxamide 4-amino-N-cycloheptyl-N,1-dimeth…

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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) 2.42 5.57 -8.36 2 4 0 51 249.358 2 ↓

Analogs

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Popular Name: 4-amino-N-cycloheptyl-N-methyl-1-propyl-pyrrole-2-carboxamide 4-amino-N-cycloheptyl-N-methyl-1…

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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) 3.30 7.2 -7.72 2 4 0 51 277.412 4 ↓

Analogs

36874619
36874619
36874620
36874620

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Popular Name: methyl methyl

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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) 3.23 7.12 -11.29 2 5 0 71 298.77 4 ↓

Analogs

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Popular Name: methyl methyl

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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) 3.37 7.23 -11.26 2 5 0 71 343.221 4 ↓

Parameters Provided:

ring.id = 113010
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 = 113010 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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