UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-amino-N-[(1R)-indan-1-yl]-N,3-dimethyl-benzamide 2-amino-N-[(1R)-indan-1-yl]-N,3-…

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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) 2.59 8.01 -8.09 2 3 0 46 280.371 2 ↓

Analogs

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Popular Name: 2-amino-N-[(1S)-indan-1-yl]-N,3-dimethyl-benzamide 2-amino-N-[(1S)-indan-1-yl]-N,3-…

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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) 2.59 8.14 -7.78 2 3 0 46 280.371 2 ↓

Analogs

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Popular Name: 3-amino-N-[(1R)-indan-1-yl]-N,4-dimethyl-benzamide 3-amino-N-[(1R)-indan-1-yl]-N,4-…

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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) 2.61 7.79 -10.28 2 3 0 46 280.371 2 ↓

Analogs

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Popular Name: 3-amino-N-[(1S)-indan-1-yl]-N,4-dimethyl-benzamide 3-amino-N-[(1S)-indan-1-yl]-N,4-…

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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) 2.61 7.91 -9.7 2 3 0 46 280.371 2 ↓

Analogs

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Popular Name: 4-amino-2-chloro-N-[(1R)-indan-1-yl]-N-methyl-benzamide 4-amino-2-chloro-N-[(1R)-indan-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) 2.43 7.53 -12.27 2 3 0 46 300.789 2 ↓

Analogs

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Popular Name: 4-amino-2-chloro-N-[(1S)-indan-1-yl]-N-methyl-benzamide 4-amino-2-chloro-N-[(1S)-indan-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) 2.43 7.66 -11.44 2 3 0 46 300.789 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(1R)-indan-1-yl]-N,3-dimethyl-benzamide 4-amino-N-[(1R)-indan-1-yl]-N,3-…

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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) 2.61 7.8 -10.85 2 3 0 46 280.371 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(1S)-indan-1-yl]-N,3-dimethyl-benzamide 4-amino-N-[(1S)-indan-1-yl]-N,3-…

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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) 2.61 7.91 -10.16 2 3 0 46 280.371 2 ↓

Analogs

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Popular Name: 2-amino-5-chloro-N-[(1R)-indan-1-yl]-N-methyl-benzamide 2-amino-5-chloro-N-[(1R)-indan-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) 2.84 7.76 -7.14 2 3 0 46 300.789 2 ↓

Analogs

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Popular Name: 2-amino-5-chloro-N-[(1S)-indan-1-yl]-N-methyl-benzamide 2-amino-5-chloro-N-[(1S)-indan-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) 2.84 7.92 -6.63 2 3 0 46 300.789 2 ↓

Analogs

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Popular Name: 4-amino-N-[(1R)-indan-1-yl]-N-methyl-benzamide 4-amino-N-[(1R)-indan-1-yl]-N-me…

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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) 1.83 7.02 -10.4 2 3 0 46 266.344 2 ↓

Analogs

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Popular Name: 4-amino-N-[(1S)-indan-1-yl]-N-methyl-benzamide 4-amino-N-[(1S)-indan-1-yl]-N-me…

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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) 1.83 7.15 -10.36 2 3 0 46 266.344 2 ↓

Analogs

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Popular Name: 2-amino-4-chloro-N-[(1R)-indan-1-yl]-N-methyl-benzamide 2-amino-4-chloro-N-[(1R)-indan-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) 2.84 7.77 -7.45 2 3 0 46 300.789 2 ↓

Analogs

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Popular Name: 2-amino-4-chloro-N-[(1S)-indan-1-yl]-N-methyl-benzamide 2-amino-4-chloro-N-[(1S)-indan-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) 2.84 7.92 -6.86 2 3 0 46 300.789 2 ↓

Analogs

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Popular Name: 5-amino-2-chloro-N-[(1R)-indan-1-yl]-N-methyl-benzamide 5-amino-2-chloro-N-[(1R)-indan-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) 2.43 7.53 -11.84 2 3 0 46 300.789 2 ↓

Analogs

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Popular Name: 5-amino-2-chloro-N-[(1S)-indan-1-yl]-N-methyl-benzamide 5-amino-2-chloro-N-[(1S)-indan-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) 2.43 7.66 -11.03 2 3 0 46 300.789 2 ↓

Analogs

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Popular Name: 3-amino-4-chloro-N-[(1R)-indan-1-yl]-N-methyl-benzamide 3-amino-4-chloro-N-[(1R)-indan-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) 2.84 7.63 -8.81 2 3 0 46 300.789 2 ↓

Analogs

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Popular Name: 3-amino-4-chloro-N-[(1S)-indan-1-yl]-N-methyl-benzamide 3-amino-4-chloro-N-[(1S)-indan-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) 2.84 7.74 -8.5 2 3 0 46 300.789 2 ↓

Analogs

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Popular Name: 3-amino-N-[(1R)-indan-1-yl]-N-methyl-benzamide 3-amino-N-[(1R)-indan-1-yl]-N-me…

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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) 1.80 7.03 -10.08 2 3 0 46 266.344 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-N-[(1S)-indan-1-yl]-N-methyl-benzamide 3-amino-N-[(1S)-indan-1-yl]-N-me…

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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) 1.80 7.14 -10.04 2 3 0 46 266.344 2 ↓

Analogs

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Popular Name: 2-amino-N-[(1R)-indan-1-yl]-N-methyl-benzamide 2-amino-N-[(1R)-indan-1-yl]-N-me…

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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) 2.18 7.25 -8.45 2 3 0 46 266.344 2 ↓

Analogs

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Popular Name: 2-amino-N-[(1S)-indan-1-yl]-N-methyl-benzamide 2-amino-N-[(1S)-indan-1-yl]-N-me…

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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) 2.18 7.4 -7.84 2 3 0 46 266.344 2 ↓

Analogs

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Popular Name: 3-amino-4-fluoro-N-[(1R)-indan-1-yl]-N-methyl-benzamide 3-amino-4-fluoro-N-[(1R)-indan-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) 2.32 7.14 -9.07 2 3 0 46 284.334 2 ↓

Analogs

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Popular Name: 3-amino-4-fluoro-N-[(1S)-indan-1-yl]-N-methyl-benzamide 3-amino-4-fluoro-N-[(1S)-indan-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) 2.32 7.24 -8.92 2 3 0 46 284.334 2 ↓

Analogs

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Popular Name: 3-amino-N-[(1R)-indan-1-yl]-N,2-dimethyl-benzamide 3-amino-N-[(1R)-indan-1-yl]-N,2-…

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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) 2.59 7.8 -9.31 2 3 0 46 280.371 2 ↓

Analogs

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Popular Name: 3-amino-N-[(1S)-indan-1-yl]-N,2-dimethyl-benzamide 3-amino-N-[(1S)-indan-1-yl]-N,2-…

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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) 2.59 7.93 -8.81 2 3 0 46 280.371 2 ↓

Analogs

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Popular Name: 2-amino-N-[(1R)-indan-1-yl]-N,6-dimethyl-benzamide 2-amino-N-[(1R)-indan-1-yl]-N,6-…

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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) 2.59 7.74 -8.38 2 3 0 46 280.371 2 ↓

Analogs

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Popular Name: 2-amino-N-[(1S)-indan-1-yl]-N,6-dimethyl-benzamide 2-amino-N-[(1S)-indan-1-yl]-N,6-…

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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) 2.59 7.87 -8.5 2 3 0 46 280.371 2 ↓

Analogs

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Popular Name: 5-amino-2-fluoro-N-[(1R)-indan-1-yl]-N-methyl-benzamide 5-amino-2-fluoro-N-[(1R)-indan-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) 1.92 7.11 -14.32 2 3 0 46 284.334 2 ↓

Analogs

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Popular Name: 5-amino-2-fluoro-N-[(1S)-indan-1-yl]-N-methyl-benzamide 5-amino-2-fluoro-N-[(1S)-indan-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) 1.92 7.23 -13.46 2 3 0 46 284.334 2 ↓

Analogs

27821994
27821994
27822000
27822000

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Popular Name: 4-(aminomethyl)-N-[(1R)-indan-1-yl]-N-methyl-benzamide 4-(aminomethyl)-N-[(1R)-indan-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) 1.93 7.2 -55.66 3 3 1 48 281.379 3 ↓
Hi High (pH 8-9.5) 1.93 6.79 -10.04 2 3 0 46 280.371 3 ↓

Analogs

27821994
27821994
27822000
27822000

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Popular Name: 4-(aminomethyl)-N-[(1S)-indan-1-yl]-N-methyl-benzamide 4-(aminomethyl)-N-[(1S)-indan-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) 1.93 7.32 -55.67 3 3 1 48 281.379 3 ↓
Hi High (pH 8-9.5) 1.93 6.91 -9.2 2 3 0 46 280.371 3 ↓

Analogs

12820564
12820564
12820568
12820568
12984286
12984286

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Popular Name: 3-(aminomethyl)-N-[(1R)-indan-1-yl]-N-methyl-benzamide 3-(aminomethyl)-N-[(1R)-indan-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) 1.91 7.18 -58.91 3 3 1 48 281.379 3 ↓
Hi High (pH 8-9.5) 1.91 6.78 -9.44 2 3 0 46 280.371 3 ↓

Analogs

12820564
12820564
12820568
12820568
12984286
12984286

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Popular Name: 3-(aminomethyl)-N-[(1S)-indan-1-yl]-N-methyl-benzamide 3-(aminomethyl)-N-[(1S)-indan-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) 1.91 7.3 -49.19 3 3 1 48 281.379 3 ↓
Hi High (pH 8-9.5) 1.91 6.9 -9.4 2 3 0 46 280.371 3 ↓

Analogs

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Popular Name: 4-(chloromethyl)-N-[(1R)-indan-1-yl]-N-methyl-benzamide 4-(chloromethyl)-N-[(1R)-indan-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) 3.33 10.44 -10.23 0 2 0 20 299.801 3 ↓

Analogs

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Popular Name: 4-(chloromethyl)-N-[(1S)-indan-1-yl]-N-methyl-benzamide 4-(chloromethyl)-N-[(1S)-indan-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) 3.33 10.56 -10.12 0 2 0 20 299.801 3 ↓

Analogs

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Popular Name: 3-(chloromethyl)-N-[(1R)-indan-1-yl]-N-methyl-benzamide 3-(chloromethyl)-N-[(1R)-indan-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 10.43 -10.18 0 2 0 20 299.801 3 ↓

Analogs

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Popular Name: 3-(chloromethyl)-N-[(1S)-indan-1-yl]-N-methyl-benzamide 3-(chloromethyl)-N-[(1S)-indan-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 10.55 -10.58 0 2 0 20 299.801 3 ↓

Analogs

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Popular Name: 4-chloro-3-(dimethylsulfamoyl)-N-[(1R)-indan-1-yl]benzamide 4-chloro-3-(dimethylsulfamoyl)-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) 2.90 6.1 -17.62 1 5 0 66 378.881 4 ↓

Analogs

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Popular Name: 4-chloro-3-(dimethylsulfamoyl)-N-[(1S)-indan-1-yl]benzamide 4-chloro-3-(dimethylsulfamoyl)-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) 2.90 6.05 -16.9 1 5 0 66 378.881 4 ↓

Analogs

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Popular Name: N-[(1R)-indan-1-yl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide N-[(1R)-indan-1-yl]-3,4-dimethyl…

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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 5.42 -18.97 2 5 0 75 358.463 4 ↓

Analogs

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Popular Name: N-[(1S)-indan-1-yl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide N-[(1S)-indan-1-yl]-3,4-dimethyl…

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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 5.36 -19.01 2 5 0 75 358.463 4 ↓

Analogs

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Popular Name: 4-(difluoromethylsulfonyl)-N-[(1S)-indan-1-yl]benzamide 4-(difluoromethylsulfonyl)-N-[(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) 2.40 5.8 -14.92 1 4 0 63 351.374 4 ↓

Analogs

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Popular Name: 4-(difluoromethylsulfonyl)-N-[(1R)-indan-1-yl]benzamide 4-(difluoromethylsulfonyl)-N-[(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) 2.40 5.73 -14.68 1 4 0 63 351.374 4 ↓

Analogs

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Popular Name: 3-(dimethylsulfamoyl)-N-[(1R)-indan-1-yl]-4,5-dimethyl-benzamide 3-(dimethylsulfamoyl)-N-[(1R)-in…

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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) 3.04 6.87 -19.14 1 5 0 66 372.49 4 ↓

Analogs

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Popular Name: 3-(dimethylsulfamoyl)-N-[(1S)-indan-1-yl]-4,5-dimethyl-benzamide 3-(dimethylsulfamoyl)-N-[(1S)-in…

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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) 3.04 6.82 -19.16 1 5 0 66 372.49 4 ↓

Analogs

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Popular Name: 2-[2-(dimethylamino)-2-oxo-ethyl]sulfanyl-N-[(1R)-indan-1-yl]benzamide 2-[2-(dimethylamino)-2-oxo-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) 2.27 9.28 -21.15 1 4 0 49 354.475 5 ↓

Analogs

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Popular Name: 2-[2-(dimethylamino)-2-oxo-ethyl]sulfanyl-N-[(1S)-indan-1-yl]benzamide 2-[2-(dimethylamino)-2-oxo-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) 2.27 9.22 -20.8 1 4 0 49 354.475 5 ↓

Analogs

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Popular Name: 5-ethoxy-N-[(1R)-indan-1-yl]-4-methoxy-2-nitro-benzamide 5-ethoxy-N-[(1R)-indan-1-yl]-4-m…

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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) 2.88 9.75 -17.53 1 7 0 93 356.378 6 ↓

Analogs

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Popular Name: 5-ethoxy-N-[(1S)-indan-1-yl]-4-methoxy-2-nitro-benzamide 5-ethoxy-N-[(1S)-indan-1-yl]-4-m…

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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) 2.88 9.67 -17 1 7 0 93 356.378 6 ↓

Parameters Provided:

ring.id = 39207
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 = 39207 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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