UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

20895461
20895461

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Popular Name: (9R)-3'-[(6,7-dimethyl-2-oxo-chromen-4-yl)methyl]spiro[5,6,7,8-tetrahydrobenzo[7]annulene-9,5'-imida (9R)-3'-[(6,7-dimethyl-2-oxo-chr…

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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) 4.32 12.77 -17.66 1 6 0 80 416.477 2 ↓

Analogs

20895459
20895459

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Popular Name: (9S)-3'-[(6,7-dimethyl-2-oxo-chromen-4-yl)methyl]spiro[5,6,7,8-tetrahydrobenzo[7]annulene-9,5'-imida (9S)-3'-[(6,7-dimethyl-2-oxo-chr…

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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) 4.32 12.71 -17.32 1 6 0 80 416.477 2 ↓

Analogs

12854261
12854261

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Popular Name: (5R)-3'-[2-(1H-indol-3-yl)-2-oxo-ethyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]- (5R)-3'-[2-(1H-indol-3-yl)-2-oxo…

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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) 3.41 9.85 -19.72 2 6 0 82 387.439 3 ↓

Analogs

12854258
12854258

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Popular Name: (5S)-3'-[2-(1H-indol-3-yl)-2-oxo-ethyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]- (5S)-3'-[2-(1H-indol-3-yl)-2-oxo…

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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) 3.41 9.88 -19.69 2 6 0 82 387.439 3 ↓

Analogs

12854271
12854271
12854275
12854275
12854280
12854280

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Popular Name: (9R)-3'-[2-[2,5-dimethyl-1-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrrol-3-yl]-2-oxo-ethyl]spiro[5,6,7,8 (9R)-3'-[2-[2,5-dimethyl-1-[[(2S…

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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) 2.99 11.54 -14.74 1 7 0 81 449.551 5 ↓

Analogs

12854275
12854275
12854280
12854280
12854266
12854266

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Popular Name: (9S)-3'-[2-[2,5-dimethyl-1-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrrol-3-yl]-2-oxo-ethyl]spiro[5,6,7,8 (9S)-3'-[2-[2,5-dimethyl-1-[[(2S…

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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) 2.99 11.85 -15.64 1 7 0 81 449.551 5 ↓

Analogs

12854280
12854280
12854266
12854266
12854271
12854271

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Popular Name: (9R)-3'-[2-[2,5-dimethyl-1-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrrol-3-yl]-2-oxo-ethyl]spiro[5,6,7,8 (9R)-3'-[2-[2,5-dimethyl-1-[[(2R…

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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) 2.99 11.81 -16.47 1 7 0 81 449.551 5 ↓

Analogs

12854266
12854266
12854271
12854271
12854275
12854275

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Popular Name: (9S)-3'-[2-[2,5-dimethyl-1-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrrol-3-yl]-2-oxo-ethyl]spiro[5,6,7,8 (9S)-3'-[2-[2,5-dimethyl-1-[[(2R…

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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) 2.99 11.71 -14.29 1 7 0 81 449.551 5 ↓

Analogs

12854294
12854294

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Popular Name: (9R)-3'-[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]spiro[5,6,7,8-tetrahydrobenzo[7]annulene-9 (9R)-3'-[2-(1-allyl-2,5-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) 3.26 11.92 -13 1 6 0 71 405.498 5 ↓

Analogs

12854286
12854286

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Popular Name: (9S)-3'-[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]spiro[5,6,7,8-tetrahydrobenzo[7]annulene-9 (9S)-3'-[2-(1-allyl-2,5-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) 3.26 11.9 -13.15 1 6 0 71 405.498 5 ↓

Analogs

12854312
12854312

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Popular Name: (9R)-3'-[2-[2,5-dimethyl-1-(5-methylisoxazol-3-yl)pyrrol-3-yl]-2-oxo-ethyl]spiro[5,6,7,8-tetrahydrob (9R)-3'-[2-[2,5-dimethyl-1-(5-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) 3.14 12.89 -17.05 1 8 0 97 446.507 4 ↓

Analogs

12854308
12854308

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Popular Name: (9S)-3'-[2-[2,5-dimethyl-1-(5-methylisoxazol-3-yl)pyrrol-3-yl]-2-oxo-ethyl]spiro[5,6,7,8-tetrahydrob (9S)-3'-[2-[2,5-dimethyl-1-(5-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) 3.14 12.76 -15.13 1 8 0 97 446.507 4 ↓

Analogs

14231965
14231965

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Popular Name: (5R)-3'-[[3-(trifluoromethyl)phenyl]methyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidi (5R)-3'-[[3-(trifluoromethyl)phe…

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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) 4.38 10.67 -7.19 1 4 0 49 388.389 3 ↓

Analogs

14231961
14231961

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Popular Name: (5S)-3'-[[3-(trifluoromethyl)phenyl]methyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidi (5S)-3'-[[3-(trifluoromethyl)phe…

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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) 4.38 10.65 -7.27 1 4 0 49 388.389 3 ↓

Analogs

14236311
14236311

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Popular Name: 2-[(9R)-2',5'-dioxospiro[5,6,7,8-tetrahydrobenzo[7]annulene-9,4'-imidazolidine]-1'-yl]-N-(4-methylsu 2-[(9R)-2',5'-dioxospiro[5,6,7,8…

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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) 2.15 5.84 -23.21 2 8 0 113 441.509 4 ↓

Analogs

14236307
14236307

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Popular Name: 2-[(9S)-2',5'-dioxospiro[5,6,7,8-tetrahydrobenzo[7]annulene-9,4'-imidazolidine]-1'-yl]-N-(4-methylsu 2-[(9S)-2',5'-dioxospiro[5,6,7,8…

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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) 2.15 5.8 -23.28 2 8 0 113 441.509 4 ↓

Analogs

14236423
14236423
14236427
14236427
14236430
14236430

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Popular Name: 2-[(5R)-2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl]-N-[(R)-(4-flu 2-[(5R)-2',5'-dioxospiro[6,7,8,9…

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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) 4.96 11.42 -13.95 2 6 0 79 477.561 5 ↓

Analogs

14236427
14236427
14236430
14236430
14236419
14236419

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Popular Name: 2-[(5R)-2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl]-N-[(S)-(4-flu 2-[(5R)-2',5'-dioxospiro[6,7,8,9…

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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) 4.96 11.4 -14.03 2 6 0 79 477.561 5 ↓

Analogs

14236430
14236430
14236419
14236419
14236423
14236423

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Popular Name: 2-[(5S)-2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl]-N-[(R)-(4-flu 2-[(5S)-2',5'-dioxospiro[6,7,8,9…

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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) 4.96 11.31 -13.91 2 6 0 79 477.561 5 ↓

Analogs

14236419
14236419
14236423
14236423
14236427
14236427

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Popular Name: 2-[(5S)-2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl]-N-[(S)-(4-flu 2-[(5S)-2',5'-dioxospiro[6,7,8,9…

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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) 4.96 11.31 -13.97 2 6 0 79 477.561 5 ↓

Analogs

14236438
14236438
14236443
14236443
14236447
14236447

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Popular Name: (2S)-4-[2-[(9R)-2',5'-dioxospiro[5,6,7,8-tetrahydrobenzo[7]annulene-9,4'-imidazolidine]-1'-yl]acetyl (2S)-4-[2-[(9R)-2',5'-dioxospiro…

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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) 2.13 8.4 -21.09 2 9 0 108 462.506 3 ↓

Analogs

14236443
14236443
14236447
14236447
14236434
14236434

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Popular Name: (2R)-4-[2-[(9R)-2',5'-dioxospiro[5,6,7,8-tetrahydrobenzo[7]annulene-9,4'-imidazolidine]-1'-yl]acetyl (2R)-4-[2-[(9R)-2',5'-dioxospiro…

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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) 2.13 8.34 -22.22 2 9 0 108 462.506 3 ↓

Analogs

14236447
14236447
14236434
14236434
14236438
14236438

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Popular Name: (2S)-4-[2-[(9S)-2',5'-dioxospiro[5,6,7,8-tetrahydrobenzo[7]annulene-9,4'-imidazolidine]-1'-yl]acetyl (2S)-4-[2-[(9S)-2',5'-dioxospiro…

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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) 2.13 8.38 -22.06 2 9 0 108 462.506 3 ↓

Analogs

14236434
14236434
14236438
14236438
14236443
14236443

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Popular Name: (2R)-4-[2-[(9S)-2',5'-dioxospiro[5,6,7,8-tetrahydrobenzo[7]annulene-9,4'-imidazolidine]-1'-yl]acetyl (2R)-4-[2-[(9S)-2',5'-dioxospiro…

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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) 2.13 8.4 -22.41 2 9 0 108 462.506 3 ↓

Analogs

14244426
14244426

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Popular Name: (9R)-3'-[2-oxo-2-(4-phenylphenyl)ethyl]spiro[5,6,7,8-tetrahydrobenzo[7]annulene-9,5'-imidazolidine]- (9R)-3'-[2-oxo-2-(4-phenylphenyl…

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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) 5.06 13.18 -13.26 1 5 0 66 424.5 4 ↓

Analogs

14244425
14244425

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Popular Name: (9S)-3'-[2-oxo-2-(4-phenylphenyl)ethyl]spiro[5,6,7,8-tetrahydrobenzo[7]annulene-9,5'-imidazolidine]- (9S)-3'-[2-oxo-2-(4-phenylphenyl…

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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) 5.06 13.17 -13.13 1 5 0 66 424.5 4 ↓

Analogs

14250773
14250773

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Popular Name: (5R)-3'-[2-(4-fluorophenoxy)ethyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4' (5R)-3'-[2-(4-fluorophenoxy)ethy…

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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) 3.96 9.3 -9.06 1 5 0 59 368.408 4 ↓

Analogs

14250771
14250771

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Popular Name: (5S)-3'-[2-(4-fluorophenoxy)ethyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4' (5S)-3'-[2-(4-fluorophenoxy)ethy…

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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) 3.96 9.4 -8.44 1 5 0 59 368.408 4 ↓

Analogs

14250777
14250777

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Popular Name: (9R)-3'-[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]spiro[5,6,7,8-tetrahydrobenzo[7]annu (9R)-3'-[2-(1-cyclopropyl-2,5-di…

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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) 2.98 11.98 -13.26 1 6 0 71 405.498 4 ↓

Analogs

14250775
14250775

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Popular Name: (9S)-3'-[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]spiro[5,6,7,8-tetrahydrobenzo[7]annu (9S)-3'-[2-(1-cyclopropyl-2,5-di…

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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) 2.98 11.96 -13.2 1 6 0 71 405.498 4 ↓

Analogs

14251167
14251167
20794953
20794953
20794956
20794956

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Popular Name: N-(4-acetamidophenyl)-2-[(9R)-2',5'-dioxospiro[5,6,7,8-tetrahydrobenzo[7]annulene-9,4'-imidazolidine N-(4-acetamidophenyl)-2-[(9R)-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) 2.50 7.2 -19.45 3 8 0 108 420.469 4 ↓

Analogs

20794953
20794953
20794956
20794956
14251165
14251165

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Popular Name: N-(4-acetamidophenyl)-2-[(9S)-2',5'-dioxospiro[5,6,7,8-tetrahydrobenzo[7]annulene-9,4'-imidazolidine N-(4-acetamidophenyl)-2-[(9S)-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) 2.50 7.17 -23.59 3 8 0 108 420.469 4 ↓

Analogs

14251192
14251192

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Popular Name: (5R)-3'-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5' (5R)-3'-[2-oxo-2-(4-pyrimidin-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) 1.77 9.03 -17.11 1 9 0 99 434.5 3 ↓

Analogs

14251191
14251191

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Popular Name: (5S)-3'-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5' (5S)-3'-[2-oxo-2-(4-pyrimidin-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) 1.77 8.94 -17 1 9 0 99 434.5 3 ↓

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Popular Name: (5S)-3'-(3-pyridylmethyl)spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione (5S)-3'-(3-pyridylmethyl)spiro[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) 2.28 7.79 -8.49 1 5 0 62 321.38 2 ↓

Analogs

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Popular Name: (5R)-3'-(3-pyridylmethyl)spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione (5R)-3'-(3-pyridylmethyl)spiro[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) 2.28 7.79 -8.29 1 5 0 62 321.38 2 ↓

Analogs

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Popular Name: 2-[(9S)-2',5'-dioxospiro[5,6,7,8-tetrahydrobenzo[7]annulene-9,4'-imidazolidine]-1'-yl]-N-[(1S,2R)-2- 2-[(9S)-2',5'-dioxospiro[5,6,7,8…

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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) 3.87 9.23 -12.51 2 6 0 79 383.492 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(9S)-2',5'-dioxospiro[5,6,7,8-tetrahydrobenzo[7]annulene-9,4'-imidazolidine]-1'-yl]-N-[(1S,2S)-2- 2-[(9S)-2',5'-dioxospiro[5,6,7,8…

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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) 3.87 8.83 -13.06 2 6 0 79 383.492 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(9S)-2',5'-dioxospiro[5,6,7,8-tetrahydrobenzo[7]annulene-9,4'-imidazolidine]-1'-yl]-N-[(1R,2R)-2- 2-[(9S)-2',5'-dioxospiro[5,6,7,8…

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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) 3.87 8.83 -13.09 2 6 0 79 383.492 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(9S)-2',5'-dioxospiro[5,6,7,8-tetrahydrobenzo[7]annulene-9,4'-imidazolidine]-1'-yl]-N-[(1R,2S)-2- 2-[(9S)-2',5'-dioxospiro[5,6,7,8…

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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) 3.87 9.23 -12.54 2 6 0 79 383.492 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3'-[2-(1,3-dioxoisoindolin-2-yl)ethyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidi (5S)-3'-[2-(1,3-dioxoisoindolin-…

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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 9.15 -14.25 1 7 0 88 403.438 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3'-[2-(1,3-dioxoisoindolin-2-yl)ethyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidi (5R)-3'-[2-(1,3-dioxoisoindolin-…

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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 9.16 -14.28 1 7 0 88 403.438 3 ↓

Parameters Provided:

ring.id = 79682
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 = 79682 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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