UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (1R,3R)-3-(cycloheptylamino)-1,7-dimethyl-indan-4-ol (1R,3R)-3-(cycloheptylamino)-1,7…

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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) 5.02 8.32 -41.49 3 2 1 37 274.428 2 ↓

Analogs

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Popular Name: (1S,3R)-3-(cycloheptylamino)-1,7-dimethyl-indan-4-ol (1S,3R)-3-(cycloheptylamino)-1,7…

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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) 5.02 7.78 -41.66 3 2 1 37 274.428 2 ↓

Analogs

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Popular Name: (1R,3S)-3-(cycloheptylamino)-1,7-dimethyl-indan-4-ol (1R,3S)-3-(cycloheptylamino)-1,7…

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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) 5.02 8.22 -40.68 3 2 1 37 274.428 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-3-(cycloheptylamino)-1,7-dimethyl-indan-4-ol (1S,3S)-3-(cycloheptylamino)-1,7…

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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) 5.02 7.71 -43.52 3 2 1 37 274.428 2 ↓

Analogs

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Popular Name: (1S,2R)-2-[[(1S)-indan-1-yl]amino]cycloheptanecarbonitrile (1S,2R)-2-[[(1S)-indan-1-yl]amin…

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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) 4.00 8.35 -5.88 1 2 0 36 254.377 2 ↓
Mid Mid (pH 6-8) 4.00 9.06 -37.83 2 2 1 40 255.385 2 ↓

Analogs

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Popular Name: (1S,2R)-2-[[(1R)-indan-1-yl]amino]cycloheptanecarbonitrile (1S,2R)-2-[[(1R)-indan-1-yl]amin…

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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) 4.00 8.49 -7.92 1 2 0 36 254.377 2 ↓
Mid Mid (pH 6-8) 4.00 9.4 -43 2 2 1 40 255.385 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(1S)-indan-1-yl]amino]cycloheptanecarbonitrile (1S,2S)-2-[[(1S)-indan-1-yl]amin…

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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) 4.00 8.79 -6.47 1 2 0 36 254.377 2 ↓
Mid Mid (pH 6-8) 4.00 9.37 -39.91 2 2 1 40 255.385 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(1R)-indan-1-yl]amino]cycloheptanecarbonitrile (1S,2S)-2-[[(1R)-indan-1-yl]amin…

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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) 4.00 8.62 -7.44 1 2 0 36 254.377 2 ↓
Mid Mid (pH 6-8) 4.00 9.26 -40.13 2 2 1 40 255.385 2 ↓

Analogs

5785135
5785135
5202725
5202725

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(cycloheptylamino)indane-1-carboxylic (1R)-1-(cycloheptylamino)indane-…

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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) 3.67 9.2 -31.41 2 3 0 57 273.376 3 ↓

Analogs

5785135
5785135
5202725
5202725

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(cycloheptylamino)indane-1-carboxylic (1S)-1-(cycloheptylamino)indane-…

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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) 3.67 8.74 -30.22 2 3 0 57 273.376 3 ↓

Analogs

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Popular Name: [(1R)-1-(cycloheptylamino)indan-1-yl]methanol [(1R)-1-(cycloheptylamino)indan-…

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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) 3.79 6.16 -37.42 3 2 1 37 260.401 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-1-(cycloheptylamino)indan-1-yl]methanol [(1S)-1-(cycloheptylamino)indan-…

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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) 3.79 5.45 -37.06 3 2 1 37 260.401 3 ↓

Parameters Provided:

ring.id = 56374
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 = 56374 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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