Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_kua3humb9ukv3jfm4ipsepa7b5, O_RDWR) failed: No such file or directory (2) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109

Warning: session_write_close() [function.session-write-close]: Failed to write session data (files). Please verify that the current setting of session.save_path is correct (/tmp/session) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109
Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-pentyl-2,5-diazabicyclo[5.4.0]undeca-8,10,12-triene-3,6-dione 2-pentyl-2,5-diazabicyclo[5.4.0]…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.31 -0.95 -10.89 1 4 0 49 246.31 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2-butoxyphenyl)methyl]-2,5-diazabicyclo[5.4.0]undeca-8,10,12-triene-3,6-dione 2-[(2-butoxyphenyl)methyl]-2,5-d…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.21 -0.8 -11.32 1 5 0 58 338.407 6 ↓

Analogs

35017776
35017776

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-4-[(4-fluorophenyl)methyl]-7-iodo-3-phenyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione (3R)-4-[(4-fluorophenyl)methyl]-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.10 11.12 -9.29 1 4 0 49 486.284 3 ↓

Analogs

35017774
35017774

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-4-[(4-fluorophenyl)methyl]-7-iodo-3-phenyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione (3S)-4-[(4-fluorophenyl)methyl]-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.10 11.33 -9.37 1 4 0 49 486.284 3 ↓

Analogs

35017780
35017780

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-4-[(4-chlorophenyl)methyl]-3-phenyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione (3R)-4-[(4-chlorophenyl)methyl]-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.56 10.48 -9.2 1 4 0 49 376.843 3 ↓

Analogs

35017778
35017778

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-4-[(4-chlorophenyl)methyl]-3-phenyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione (3S)-4-[(4-chlorophenyl)methyl]-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.56 10.68 -9.56 1 4 0 49 376.843 3 ↓

Analogs

35017784
35017784

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.04 14.49 -15.92 0 6 0 67 462.933 7 ↓

Analogs

35017782
35017782

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.04 14.11 -9.83 0 6 0 67 462.933 7 ↓

Analogs

35017788
35017788
44032250
44032250

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-4-[(4-chlorophenyl)methyl]-7-iodo-3-phenyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione (3R)-4-[(4-chlorophenyl)methyl]-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.61 11.57 -8.71 1 4 0 49 502.739 3 ↓

Analogs

35017786
35017786

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-4-[(4-chlorophenyl)methyl]-7-iodo-3-phenyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione (3S)-4-[(4-chlorophenyl)methyl]-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.61 11.79 -8.82 1 4 0 49 502.739 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(3R)-7-acetamido-2,5-dioxo-3-phenyl-1,3-dihydro-1,4-benzodiazepin-4-yl]-N-cyclohexyl-2-(4-ni (2S)-2-[(3R)-7-acetamido-2,5-dio…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 10.92 -17.62 3 11 0 153 569.618 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(3S)-7-acetamido-2,5-dioxo-3-phenyl-1,3-dihydro-1,4-benzodiazepin-4-yl]-N-cyclohexyl-2-(4-ni (2S)-2-[(3S)-7-acetamido-2,5-dio…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 12.19 -19.11 3 11 0 153 569.618 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(3R)-7-acetamido-2,5-dioxo-3-phenyl-1,3-dihydro-1,4-benzodiazepin-4-yl]-N-cyclohexyl-2-(4-ni (2R)-2-[(3R)-7-acetamido-2,5-dio…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 11.98 -20.4 3 11 0 153 569.618 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(3S)-7-acetamido-2,5-dioxo-3-phenyl-1,3-dihydro-1,4-benzodiazepin-4-yl]-N-cyclohexyl-2-(4-ni (2R)-2-[(3S)-7-acetamido-2,5-dio…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 10.91 -17.03 3 11 0 153 569.618 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3R)-1-methyl-2,5-dioxo-3,4-dihydro-1,4-benzodiazepin-3-yl]propanoic 3-[(3R)-1-methyl-2,5-dioxo-3,4-d…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.14 3.12 -51.77 1 6 -1 90 261.257 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3S)-1-methyl-2,5-dioxo-3,4-dihydro-1,4-benzodiazepin-3-yl]propanoic 3-[(3S)-1-methyl-2,5-dioxo-3,4-d…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.14 3.13 -51.74 1 6 -1 90 261.257 3 ↓

Analogs

34549998
34549998
34549999
34549999
39265872
39265872
39265888
39265888
39265895
39265895

Draw Identity 99% 90% 80% 70%

Popular Name: cyclopeptine cyclopeptine

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.69 6.95 -10.31 1 4 0 49 280.327 2 ↓

Analogs

15935782
15935782
15936656
15936656

Draw Identity 99% 90% 80% 70%

Popular Name: benzyl-(4-fluorophenyl)BLAHtetrone benzyl-(4-fluorophenyl)BLAHtetrone

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.16 11.8 -18.47 1 7 0 87 469.472 3 ↓

Analogs

15936656
15936656
15935781
15935781

Draw Identity 99% 90% 80% 70%

Popular Name: (4-fluorophenyl)-dimethyl-BLAHtetrone (4-fluorophenyl)-dimethyl-BLAHte…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.21 8.48 -20.03 1 7 0 87 407.401 1 ↓

Analogs

15935781
15935781
15935782
15935782

Draw Identity 99% 90% 80% 70%

Popular Name: (4-fluorophenyl)-methyl-BLAHtetrone (4-fluorophenyl)-methyl-BLAHtetrone

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.76 8.25 -20.65 1 7 0 87 393.374 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-chlorophenyl)-ethyl-BLAHtetrone (3-chlorophenyl)-ethyl-BLAHtetrone

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.63 9.69 -17.46 1 7 0 87 423.856 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl-(m-tolyl)BLAHtetrone methyl-(m-tolyl)BLAHtetrone

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.02 8.84 -19.29 1 7 0 87 389.411 1 ↓

Analogs

15974643
15974643
12726585
12726585

Draw Identity 99% 90% 80% 70%

Popular Name: methyl-(p-tolyl)BLAHtetrone methyl-(p-tolyl)BLAHtetrone

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.05 8.84 -19.3 1 7 0 87 389.411 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3'S,4'S,5'R,6aR,8S)-3',4'-dihydroxy-5'-(hydroxymethyl)-5-methyl-spiro[7,9-dihydro-6aH-pyrrolo[2,1-c (3'S,4'S,5'R,6aR,8S)-3',4'-dihyd…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) -0.81 -3.86 -17.42 3 8 0 111 348.355 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3'S,4'S,5'R,6aR,8S)-2-amino-3',4'-dihydroxy-5'-(hydroxymethyl)spiro[5,6a,7,9-tetrahydropyrrolo[2,1- (3'S,4'S,5'R,6aR,8S)-2-amino-3',…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) -2.01 -7.63 -17.66 6 9 0 145 349.343 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3'S,4'S,5'R,6aR,8S)-2-chloro-3',4'-dihydroxy-5'-(hydroxymethyl)-5-methyl-spiro[7,9-dihydro-6aH-pyrr (3'S,4'S,5'R,6aR,8S)-2-chloro-3'…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) -0.16 -3.33 -16.44 3 8 0 111 382.8 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3'R,4'R,5'S,6aS,8R)-3',4'-dihydroxy-5'-(hydroxymethyl)spiro[5,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]b (3'R,4'R,5'S,6aS,8R)-3',4'-dihyd…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) -1.06 -5.33 -16.54 4 8 0 119 334.328 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3'R,4'R,5'S,6aS,8R)-3',4'-dihydroxy-5'-(hydroxymethyl)-5-methyl-spiro[7,9-dihydro-6aH-pyrrolo[2,1-c (3'R,4'R,5'S,6aS,8R)-3',4'-dihyd…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) -0.81 -3.74 -17.15 3 8 0 111 348.355 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: bromo-chloro-methyl-phenyl-BLAHdione bromo-chloro-methyl-phenyl-BLAHd…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 5.52 10.72 -10.83 1 5 0 59 523.814 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3'S,4'S,5'R,6aR,8S)-3',4'-dihydroxy-5'-(hydroxymethyl)spiro[5,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]b (3'S,4'S,5'R,6aR,8S)-3',4'-dihyd…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) -1.06 -5.49 -17.06 4 8 0 119 334.328 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3'R,4'R,5'S,6aS,8R)-2-amino-3',4'-dihydroxy-5'-(hydroxymethyl)-5-methyl-spiro[7,9-dihydro-6aH-pyrro (3'R,4'R,5'S,6aS,8R)-2-amino-3',…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) -1.76 -5.88 -17.81 5 9 0 137 363.37 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzyl benzyl

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.83 3.53 -19.61 4 10 0 135 435.44 7 ↓
Hi High (pH 8-9.5) 1.01 1.36 -48.68 3 10 -1 141 434.432 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzyl benzyl

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.83 3.56 -19.54 4 10 0 135 435.44 7 ↓
Hi High (pH 8-9.5) 1.01 1.23 -49.52 3 10 -1 141 434.432 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: isobutyl(trifluoromethyl)BLAHdione isobutyl(trifluoromethyl)BLAHdione

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.62 8.23 -10.01 1 5 0 62 397.422 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: isobutyl(trifluoromethyl)BLAHdione isobutyl(trifluoromethyl)BLAHdione

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.62 8.24 -10.19 1 5 0 62 397.422 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.68 2.41 -13.92 3 8 0 114 347.371 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(1H-indol-6-yl)propanamide 3-[(3S)-2,5-dioxo-3,4-dihydro-1H…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.84 1.18 -19.81 4 7 0 107 362.389 4 ↓
Ref Reference (pH 7) 1.65 3.84 -18.56 4 7 0 103 362.389 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (12aR)-11-methyl-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepine-6,12-dione (12aR)-11-methyl-12a,13-dihydroi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.29 7.99 -12.77 0 4 0 41 278.311 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (12aS)-11-methyl-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepine-6,12-dione (12aS)-11-methyl-12a,13-dihydroi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.29 7.98 -12.79 0 4 0 41 278.311 0 ↓

Analogs

39265896
39265896
39265891
39265891

Draw Identity 99% 90% 80% 70%

Popular Name: (12aR)-11-ethyl-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepine-6,12-dione (12aR)-11-ethyl-12a,13-dihydroin…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.66 8.87 -13.08 0 4 0 41 292.338 1 ↓

Analogs

39265896
39265896

Draw Identity 99% 90% 80% 70%

Popular Name: (12aS)-11-ethyl-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepine-6,12-dione (12aS)-11-ethyl-12a,13-dihydroin…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.66 8.89 -13.12 0 4 0 41 292.338 1 ↓

Analogs

20763475
20763475

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(1H-indol-5-yl)acetamide 2-[(3S)-2,5-dioxo-3,4-dihydro-1H…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.60 3.19 -18.72 4 7 0 103 348.362 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-[2-(2-methoxyphenyl)ethyl]propanamide 3-[(3S)-2,5-dioxo-3,4-dihydro-1H…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.57 4.04 -17.22 3 7 0 97 381.432 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(1H-indol-6-yl)acetamide 2-[(3S)-2,5-dioxo-3,4-dihydro-1H…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.60 3.18 -19.83 4 7 0 103 348.362 3 ↓

Analogs

44891441
44891441
20719280
20719280
20728352
20728352
20761310
20761310

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]acetyl]amino]benzamide 4-[[2-[(3S)-2,5-dioxo-3,4-dihydr…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.23 -0.06 -25.52 5 8 0 130 352.35 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.21 3.17 -14.41 3 8 0 114 361.398 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(1H-indol-5-yl)propanamide 3-[(3S)-2,5-dioxo-3,4-dihydro-1H…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.84 1.19 -19.22 4 7 0 107 362.389 4 ↓
Ref Reference (pH 7) 1.65 3.84 -17.88 4 7 0 103 362.389 4 ↓

Analogs

4374284
4374284

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(6aR)-6,12-dioxo-7,8,9,10-tetrahydro-6aH-pyrido[2,1-c][1,4]benzodiazepin-5-yl]-N-(2-pyrrol-1-ylet 2-[(6aR)-6,12-dioxo-7,8,9,10-tet…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.25 8.23 -25.79 1 7 0 75 380.448 5 ↓

Analogs

4374284
4374284

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(6aS)-6,12-dioxo-7,8,9,10-tetrahydro-6aH-pyrido[2,1-c][1,4]benzodiazepin-5-yl]-N-(2-pyrrol-1-ylet 2-[(6aS)-6,12-dioxo-7,8,9,10-tet…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.25 8.1 -17.09 1 7 0 75 380.448 5 ↓

Analogs

13628051
13628051
13628053
13628053
28824359
28824359

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(6aR)-6,12-dioxo-7,8,9,10-tetrahydro-6aH-pyrido[2,1-c][1,4]benzodiazepin-5-yl]-N-(1,1-dimethyl-2- 2-[(6aR)-6,12-dioxo-7,8,9,10-tet…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 9.92 -13.81 1 6 0 70 419.525 5 ↓

Parameters Provided:

ring.id = 3104
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 = 3104 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=3104&filter.purchasability=annotated

Embed Link to Results