UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,10-diaza-9-(2-(2,2-dimethyl(3-oxaindan-4-yloxy))-5-nitrophenyl)-5,5-dimethyltricyclo[9.4.0.0<3,8>]pentadeca-1(15),3(8),11(12),13-tetraen-7-one 2,10-diaza-9-(2-(2,2-dimethyl(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) 6.80 14.6 -13.8 2 8 0 105 525.605 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,10-diaza-9-(2-(2,2-dimethyl(3-oxaindan-4-yloxy))-5-nitrophenyl)-5,5-dimethyltricyclo[9.4.0.0<3,8>]pentadeca-1(15),3(8),11(12),13-tetraen-7-one 2,10-diaza-9-(2-(2,2-dimethyl(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) 6.80 14.13 -15.36 2 8 0 105 525.605 4 ↓

Analogs

8695629
8695629
8695630
8695630

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,6aR,9R)-5-hexanoyl-9-phenyl-6-(3,4,5-trimethoxyphenyl)-6a,8,9,10-tetrahydro-6H-benzo[b][1,4]benz (6S,6aR,9R)-5-hexanoyl-9-phenyl-…

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) 6.23 15.31 -21.18 1 7 0 77 554.687 9 ↓

Analogs

8695629
8695629
8695630
8695630

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,6aR,9S)-5-hexanoyl-9-phenyl-6-(3,4,5-trimethoxyphenyl)-6a,8,9,10-tetrahydro-6H-benzo[b][1,4]benz (6S,6aR,9S)-5-hexanoyl-9-phenyl-…

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) 6.23 15.3 -21.18 1 7 0 77 554.687 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,6aR,9R)-9-(3,4-dimethoxyphenyl)-6-[2-[(1S)-1-methylpropoxy]phenyl]-5-propanoyl-6a,8,9,10-tetrahy (6R,6aR,9R)-9-(3,4-dimethoxyphen…

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) 5.92 15.22 -23.25 1 7 0 77 554.687 8 ↓

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) 6.42 16.12 -21.41 1 8 0 94 582.697 10 ↓

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) 6.42 16.13 -24.03 1 8 0 94 582.697 10 ↓

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) 6.42 16.13 -24.12 1 8 0 94 582.697 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 10-(cyclopropylcarbonyl)-11-(2-furyl)-3-(4-methylphenyl)-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol 10-(cyclopropylcarbonyl)-11-(2-f…

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) 5.40 14.05 -18.19 1 5 0 63 438.527 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 10-(cyclopropylcarbonyl)-11-(2-furyl)-3-(4-methylphenyl)-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol 10-(cyclopropylcarbonyl)-11-(2-f…

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) 5.40 14.05 -18.02 1 5 0 63 438.527 3 ↓

Analogs

12402400
12402400

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-6-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[c][1, (6S)-6-[3-chloro-4-[(2-fluorophe…

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) 6.72 0.38 -10.14 2 4 0 50 476.979 4 ↓

Analogs

12402399
12402399

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-6-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[c][1, (6R)-6-[3-chloro-4-[(2-fluorophe…

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) 6.72 0.37 -10.51 2 4 0 50 476.979 4 ↓

Analogs

12402402
12402402

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-6-[4-[(4-fluorophenyl)methoxy]-3-methoxy-phenyl]-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[c][ (6S)-6-[4-[(4-fluorophenyl)metho…

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) 5.75 0.69 -12.94 2 5 0 60 472.56 5 ↓

Analogs

12402401
12402401

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-6-[4-[(4-fluorophenyl)methoxy]-3-methoxy-phenyl]-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[c][ (6R)-6-[4-[(4-fluorophenyl)metho…

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) 5.75 0.7 -12.55 2 5 0 60 472.56 5 ↓

Analogs

12402404
12402404

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-6-[4-[(3-chlorophenyl)methoxy]phenyl]-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[c][1,5]benzodi (6S)-6-[4-[(3-chlorophenyl)metho…

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) 6.65 -0.51 -10.77 2 4 0 50 458.989 4 ↓

Analogs

12402403
12402403

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-6-[4-[(3-chlorophenyl)methoxy]phenyl]-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[c][1,5]benzodi (6R)-6-[4-[(3-chlorophenyl)metho…

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) 6.65 -0.51 -9.71 2 4 0 50 458.989 4 ↓

Analogs

12402406
12402406

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-6-[4-[(2-fluorophenyl)methoxy]phenyl]-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[c][1,5]benzodi (6S)-6-[4-[(2-fluorophenyl)metho…

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) 6.11 0.48 -10.69 2 4 0 50 442.534 4 ↓

Analogs

12402405
12402405

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-6-[4-[(2-fluorophenyl)methoxy]phenyl]-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[c][1,5]benzodi (6R)-6-[4-[(2-fluorophenyl)metho…

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) 6.11 0.48 -9.74 2 4 0 50 442.534 4 ↓

Analogs

17102302
17102302
17102304
17102304
17102305
17102305

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,9S)-5-(4-methoxybenzoyl)-6-(4-methoxyphenyl)-9-methyl-8,9,10,11-tetrahydro-6H-benzo[c][1,5]benzo (6S,9S)-5-(4-methoxybenzoyl)-6-(…

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) 5.32 11.46 -21.2 1 6 0 68 468.553 4 ↓

Analogs

17102302
17102302
17102304
17102304
17102305
17102305

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,9S)-5-(4-methoxybenzoyl)-6-(4-methoxyphenyl)-9-methyl-8,9,10,11-tetrahydro-6H-benzo[c][1,5]benzo (6R,9S)-5-(4-methoxybenzoyl)-6-(…

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) 5.32 11.49 -20.03 1 6 0 68 468.553 4 ↓

Analogs

17102302
17102302
17102304
17102304
17102305
17102305

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,9R)-5-(4-methoxybenzoyl)-6-(4-methoxyphenyl)-9-methyl-8,9,10,11-tetrahydro-6H-benzo[c][1,5]benzo (6S,9R)-5-(4-methoxybenzoyl)-6-(…

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) 5.32 11.45 -19.9 1 6 0 68 468.553 4 ↓

Analogs

17102302
17102302
17102304
17102304
17102305
17102305

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,9R)-5-(4-methoxybenzoyl)-6-(4-methoxyphenyl)-9-methyl-8,9,10,11-tetrahydro-6H-benzo[c][1,5]benzo (6R,9R)-5-(4-methoxybenzoyl)-6-(…

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) 5.32 11.51 -20.14 1 6 0 68 468.553 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,9S)-5-(2-methoxybenzoyl)-6-(4-methoxyphenyl)-9-methyl-8,9,10,11-tetrahydro-6H-benzo[c][1,5]benzo (6S,9S)-5-(2-methoxybenzoyl)-6-(…

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) 5.82 12.55 -25.91 1 6 0 68 468.553 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,9S)-5-(2-methoxybenzoyl)-6-(4-methoxyphenyl)-9-methyl-8,9,10,11-tetrahydro-6H-benzo[c][1,5]benzo (6R,9S)-5-(2-methoxybenzoyl)-6-(…

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) 5.82 12.38 -25.95 1 6 0 68 468.553 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,9R)-5-(2-methoxybenzoyl)-6-(4-methoxyphenyl)-9-methyl-8,9,10,11-tetrahydro-6H-benzo[c][1,5]benzo (6S,9R)-5-(2-methoxybenzoyl)-6-(…

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) 5.82 12.54 -24.39 1 6 0 68 468.553 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,9R)-5-(2-methoxybenzoyl)-6-(4-methoxyphenyl)-9-methyl-8,9,10,11-tetrahydro-6H-benzo[c][1,5]benzo (6R,9R)-5-(2-methoxybenzoyl)-6-(…

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) 5.82 12.38 -24.75 1 6 0 68 468.553 4 ↓

Analogs

8456837
8456837
8456839
8456839

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-6-(2,4-dichlorophenyl)-9,9-dimethyl-5-(3-methylbutanoyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzo (6R)-6-(2,4-dichlorophenyl)-9,9-…

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) 6.18 13.97 -17.24 1 4 0 49 471.428 3 ↓

Analogs

8456837
8456837
8456839
8456839

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-6-(2,4-dichlorophenyl)-9,9-dimethyl-5-(3-methylbutanoyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzo (6S)-6-(2,4-dichlorophenyl)-9,9-…

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) 6.18 14.03 -16.95 1 4 0 49 471.428 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,9S)-5-(4-chlorobenzoyl)-6-(4-methoxyphenyl)-9-methyl-8,9,10,11-tetrahydro-6H-benzo[c][1,5]benzod (6S,9S)-5-(4-chlorobenzoyl)-6-(4…

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) 5.94 12.66 -19.57 1 5 0 59 472.972 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,9S)-5-(4-chlorobenzoyl)-6-(4-methoxyphenyl)-9-methyl-8,9,10,11-tetrahydro-6H-benzo[c][1,5]benzod (6R,9S)-5-(4-chlorobenzoyl)-6-(4…

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) 5.94 12.7 -19.67 1 5 0 59 472.972 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,9R)-5-(4-chlorobenzoyl)-6-(4-methoxyphenyl)-9-methyl-8,9,10,11-tetrahydro-6H-benzo[c][1,5]benzod (6S,9R)-5-(4-chlorobenzoyl)-6-(4…

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) 5.94 12.66 -18.25 1 5 0 59 472.972 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,9R)-5-(4-chlorobenzoyl)-6-(4-methoxyphenyl)-9-methyl-8,9,10,11-tetrahydro-6H-benzo[c][1,5]benzod (6R,9R)-5-(4-chlorobenzoyl)-6-(4…

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) 5.94 12.71 -18.49 1 5 0 59 472.972 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,9R)-6-(3,5-difluorophenyl)-5-(2-methoxybenzoyl)-9-methyl-8,9,10,11-tetrahydro-6H-benzo[c][1,5]be (6S,9R)-6-(3,5-difluorophenyl)-5…

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) 6.02 12.76 -22.98 1 5 0 59 474.507 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,9R)-6-(3,5-difluorophenyl)-5-(2-methoxybenzoyl)-9-methyl-8,9,10,11-tetrahydro-6H-benzo[c][1,5]be (6R,9R)-6-(3,5-difluorophenyl)-5…

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) 6.02 13.18 -23.59 1 5 0 59 474.507 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,9S)-6-(3,5-difluorophenyl)-5-(2-methoxybenzoyl)-9-methyl-8,9,10,11-tetrahydro-6H-benzo[c][1,5]be (6S,9S)-6-(3,5-difluorophenyl)-5…

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) 6.02 12.88 -23 1 5 0 59 474.507 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,9S)-6-(3,5-difluorophenyl)-5-(2-methoxybenzoyl)-9-methyl-8,9,10,11-tetrahydro-6H-benzo[c][1,5]be (6R,9S)-6-(3,5-difluorophenyl)-5…

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) 6.02 13.12 -23.33 1 5 0 59 474.507 3 ↓

Analogs

14606498
14606498

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(6R)-9,9-dimethyl-7-oxo-6-(2-thienyl)-6,8,10,11-tetrahydrobenzo[c][1,5]benzodiazepin-5-yl]-N-[[(2 2-[(6R)-9,9-dimethyl-7-oxo-6-(2-…

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) 4.47 10.4 -11.87 2 6 0 71 465.619 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,3-dimethyl-11-[5-nitro-2-(2-pyridinylsulfanyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one 3,3-dimethyl-11-[5-nitro-2-(2-py…

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) 5.46 11.98 -10.89 2 7 0 100 472.57 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,3-dimethyl-11-[5-nitro-2-(2-pyridinylsulfanyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one 3,3-dimethyl-11-[5-nitro-2-(2-py…

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) 5.46 11.95 -10.91 2 7 0 100 472.57 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 11-(3,5-dibromo-4-hydroxyphenyl)-3,3,8-trimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one 11-(3,5-dibromo-4-hydroxyphenyl)…

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) 6.02 8.11 -8.11 3 4 0 61 506.238 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 11-(3,5-dibromo-4-hydroxyphenyl)-3,3,8-trimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one 11-(3,5-dibromo-4-hydroxyphenyl)…

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) 6.02 8.09 -8.39 3 4 0 61 506.238 1 ↓

Analogs

8430020
8430020

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-[(6S)-7-keto-9,9-dimethyl-6-[4-(trifluoromethyl)phenyl]-6,8,10,11-tetrahydrobenzo[b][1,4]benzod 2-[1-[(6S)-7-keto-9,9-dimethyl-6…

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) 6.90 5 -14.81 1 5 0 66 556.584 3 ↓

Analogs

4168000
4168000

Draw Identity 99% 90% 80% 70%

Popular Name: 1H-indol-3-yl-tetramethyl-BLAHone 1H-indol-3-yl-tetramethyl-BLAHone

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) 5.30 -0.92 -11.72 3 4 0 56 385.511 1 ↓

Analogs

4167995
4167995

Draw Identity 99% 90% 80% 70%

Popular Name: 1H-indol-3-yl-tetramethyl-BLAHone 1H-indol-3-yl-tetramethyl-BLAHone

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) 5.30 -1.06 -10.37 3 4 0 56 385.511 1 ↓

Analogs

4168024
4168024

Draw Identity 99% 90% 80% 70%

Popular Name: tetramethyl-(4-propoxyphenyl)-BLAHone tetramethyl-(4-propoxyphenyl)-BL…

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) 6.08 0.19 -8.92 2 4 0 50 404.554 4 ↓

Analogs

4168019
4168019

Draw Identity 99% 90% 80% 70%

Popular Name: tetramethyl-(4-propoxyphenyl)-BLAHone tetramethyl-(4-propoxyphenyl)-BL…

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) 6.08 0.18 -8.62 2 4 0 50 404.554 4 ↓

Analogs

4168030
4168030
4151107
4151107

Draw Identity 99% 90% 80% 70%

Popular Name: (4-diethylaminophenyl)-tetramethyl-BLAHone (4-diethylaminophenyl)-tetrameth…

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) 6.00 12.56 -23.22 3 4 0 46 418.605 4 ↓

Analogs

4151107
4151107

Draw Identity 99% 90% 80% 70%

Popular Name: (4-diethylaminophenyl)-tetramethyl-BLAHone (4-diethylaminophenyl)-tetrameth…

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) 6.00 12.57 -23.34 3 4 0 46 418.605 4 ↓

Analogs

4550156
4550156
3904701
3904701
3904703
3904703
3904705
3904705

Draw Identity 99% 90% 80% 70%

Popular Name: pentanoyl-(p-tolyl)BLAHone pentanoyl-(p-tolyl)BLAHone

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) 4.98 1.56 -18.96 1 4 0 49 388.511 4 ↓

Analogs

4550155
4550155

Draw Identity 99% 90% 80% 70%

Popular Name: pentanoyl-(p-tolyl)BLAHone pentanoyl-(p-tolyl)BLAHone

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) 4.98 1.55 -18.9 1 4 0 49 388.511 4 ↓

Parameters Provided:

ring.id = 18677
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 = 18677 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=18677&filter.purchasability=annotated

Embed Link to Results