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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

1566379
1566379

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Popular Name: SQ-20824 SQ-20824

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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) 4.03 1.38 -49.86 0 2 -1 40 237.278 2 ↓

Analogs

1842844
1842844

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Popular Name: INN INN

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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) 2.30 -2.48 -41.7 3 3 1 46 248.346 6 ↓

Analogs

1566183
1566183

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Popular Name: AY-23713 AY-23713

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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) 2.95 1.48 -38.77 1 2 1 13 258.385 3 ↓

Analogs

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Popular Name: N,N-diethyl-N'-(phenylBLAHyl)-propane-1,3-diamine N,N-diethyl-N'-(phenylBLAHyl)-pr…

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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) 4.21 0.4 -42.91 2 4 1 42 373.524 8 ↓

Analogs

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Popular Name: 1-(9H-fluoren-9-yl)-N,N-dimethyl-pyridin-4-amine 1-(9H-fluoren-9-yl)-N,N-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) -1.31 2.13 -25.64 0 2 1 7 287.386 2 ↓

Analogs

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Popular Name: 1-(9H-fluoren-3-yl)-2-(2-nitrophenoxy)-ethanone 1-(9H-fluoren-3-yl)-2-(2-nitroph…

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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) 4.92 2.89 -26.15 0 5 0 72 345.354 5 ↓

Analogs

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Popular Name: 2-[[5-(carbamoylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(9H-fluoren-9-yl)acetamide 2-[[5-(carbamoylmethylsulfanyl)-…

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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) 2.92 -5.65 -15.09 3 6 0 98 428.564 7 ↓

Analogs

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Popular Name: 1-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-(spiro[indene-1,4'-piperidine]-1'-ylsulfonylmethyl)norbornan 1-[[(1S,2R,4R)-2-hydroxy-7,7-dim…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
OXYR-1-E Oxytocin Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 110 0.27 Binding ≤ 10μM
V1AR-1-E Vasopressin V1a Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 3000 0.21 Binding ≤ 10μM
V1BR-1-E Vasopressin V1b Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 3000 0.21 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OXYR_RAT P70536 Oxytocin Receptor, Rat 110 0.27 Binding ≤ 1μM
OXYR_RAT P70536 Oxytocin Receptor, Rat 110 0.27 Binding ≤ 10μM
V1AR_RAT P30560 Vasopressin V1a Receptor, Rat 3000 0.21 Binding ≤ 10μM
V1BR_RAT P48974 Vasopressin V1b Receptor, Rat 3000 0.21 Binding ≤ 10μM

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) 2.78 10.13 -16.76 1 7 0 95 512.672 5 ↓

Analogs

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Popular Name: [1-(2,5-dichlorophenyl)-6,7-dimethoxy-4H-indeno[1,2-c]pyrazol-3-yl]-morpholino-methanone [1-(2,5-dichlorophenyl)-6,7-dime…

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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) 4.26 10.13 -12.27 0 7 0 66 474.344 4 ↓

Analogs

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Popular Name: azepan-1-yl-[1-(2-fluorophenyl)-6,7-dimethoxy-4H-indeno[1,2-c]pyrazol-3-yl]methanone azepan-1-yl-[1-(2-fluorophenyl)-…

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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) 4.45 12.63 -15.21 0 6 0 57 435.499 4 ↓

Analogs

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Popular Name: 1-(4-chlorophenyl)-6,7-dimethoxy-N-(3-pyridyl)-4H-indeno[1,2-c]pyrazole-3-carboxamide 1-(4-chlorophenyl)-6,7-dimethoxy…

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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) 3.77 9.41 -11.97 1 7 0 78 446.894 5 ↓

Analogs

32105808
32105808

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Popular Name: 1-(3-chloro-4-fluoro-phenyl)-6,7-dimethoxy-N-(2-methoxyethyl)-4H-indeno[1,2-c]pyrazole-3-carboxamide 1-(3-chloro-4-fluoro-phenyl)-6,7…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.43 7.38 -12.15 1 7 0 75 445.878 7 ↓

Analogs

32093486
32093486
32103277
32103277

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Popular Name: 1-(3-chlorophenyl)-6,7-dimethoxy-N-(2-methoxyethyl)-4H-indeno[1,2-c]pyrazole-3-carboxamide 1-(3-chlorophenyl)-6,7-dimethoxy…

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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) 3.32 7.33 -13.94 1 7 0 75 427.888 7 ↓

Analogs

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Popular Name: (6,7-dimethoxy-1-methyl-4H-indeno[1,2-c]pyrazol-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (6,7-dimethoxy-1-methyl-4H-inden…

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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) 3.03 8.6 -14.76 0 8 0 69 448.523 5 ↓

Analogs

32088964
32088964

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Popular Name: 1-(3-chlorophenyl)-N-isoxazol-3-yl-6,7-dimethoxy-4H-indeno[1,2-c]pyrazole-3-carboxamide 1-(3-chlorophenyl)-N-isoxazol-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) 3.64 9.53 -14.48 1 8 0 91 436.855 5 ↓

Analogs

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Popular Name: (6,7-dimethoxy-1-methyl-4H-indeno[1,2-c]pyrazol-3-yl)-indolin-1-yl-methanone (6,7-dimethoxy-1-methyl-4H-inden…

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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) 3.13 9.87 -15.83 0 6 0 57 375.428 3 ↓

Analogs

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Popular Name: N-cyclopentyl-6,7-dimethoxy-1-methyl-4H-indeno[1,2-c]pyrazole-3-carboxamide N-cyclopentyl-6,7-dimethoxy-1-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) 2.59 6.74 -13.39 1 6 0 65 341.411 4 ↓

Analogs

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Popular Name: 4-[[1-(4-fluorophenyl)-6,7-dimethoxy-4H-indeno[1,2-c]pyrazole-3-carbonyl]amino]benzoic 4-[[1-(4-fluorophenyl)-6,7-dimet…

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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) 4.24 10.35 -59.44 1 8 -1 106 472.452 6 ↓

Analogs

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Popular Name: N-allyl-N-[(2-chlorophenyl)methyl]-6,7-dimethoxy-1-methyl-4H-indeno[1,2-c]pyrazole-3-carboxamide N-allyl-N-[(2-chlorophenyl)methy…

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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) 4.11 12.67 -13.57 0 6 0 57 437.927 7 ↓

Analogs

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Popular Name: N-cyclohexyl-6,7-dimethoxy-1-methyl-4H-indeno[1,2-c]pyrazole-3-carboxamide N-cyclohexyl-6,7-dimethoxy-1-met…

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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) 3.10 7.3 -13.46 1 6 0 65 355.438 4 ↓

Analogs

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Popular Name: 1-(4-fluorophenyl)-6,7-dimethoxy-N-(5-methylisoxazol-3-yl)-4H-indeno[1,2-c]pyrazole-3-carboxamide 1-(4-fluorophenyl)-6,7-dimethoxy…

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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) 3.16 9.91 -12.97 1 8 0 91 434.427 5 ↓

Analogs

34956384
34956384

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Popular Name: (2R)-3-amino-N-(9H-fluoren-2-yl)-2-methyl-3-thioxo-propanamide (2R)-3-amino-N-(9H-fluoren-2-yl)…

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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) 2.65 7.22 -17.62 3 3 0 55 296.395 3 ↓

Analogs

34956384
34956384

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Popular Name: (2S)-3-amino-N-(9H-fluoren-2-yl)-2-methyl-3-thioxo-propanamide (2S)-3-amino-N-(9H-fluoren-2-yl)…

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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) 2.65 7.23 -16.99 3 3 0 55 296.395 3 ↓

Analogs

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Popular Name: pentamethyl pentamethyl

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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) 1.07 8.6 -13.81 0 10 0 132 435.179 10 ↓

Analogs

36472818
36472818

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Popular Name: methyl methyl

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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) 3.90 10.49 -8.12 0 3 0 36 306.361 3 ↓

Analogs

1545255
1545255

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Popular Name: (9R)-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-9-methyl-9H-fluorene-2-carboxamide (9R)-N-[4-[4-(2,3-dichlorophenyl…

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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) 6.40 16.72 -52.05 2 4 1 37 509.501 7 ↓
Mid Mid (pH 6-8) 6.40 14.52 -12.62 1 4 0 36 508.493 7 ↓

Analogs

1545255
1545255

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Popular Name: (9S)-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-9-methyl-9H-fluorene-2-carboxamide (9S)-N-[4-[4-(2,3-dichlorophenyl…

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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) 6.40 16.65 -48.06 2 4 1 37 509.501 7 ↓
Mid Mid (pH 6-8) 6.40 14.44 -11.91 1 4 0 36 508.493 7 ↓

Analogs

13588508
13588508

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Popular Name: N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-9H-fluorene-1-carboxamide N-[4-[4-(2,3-dichlorophenyl)pipe…

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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) 6.40 16.04 -48.49 2 4 1 37 495.474 7 ↓
Mid Mid (pH 6-8) 6.40 13.84 -12.67 1 4 0 36 494.466 7 ↓

Analogs

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Popular Name: (5-carbamoyl-4H-indeno[1,2-d]thiazol-8-yl)oxymethylphosphonic (5-carbamoyl-4H-indeno[1,2-d]thi…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
F16P1-1-E Fructose-1,6-bisphosphatase 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 1 0.60 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
F16P1_HUMAN P09467 Fructose-1,6-bisphosphatase, Human 1 0.60 Binding ≤ 1μM
F16P1_HUMAN P09467 Fructose-1,6-bisphosphatase, Human 1 0.60 Binding ≤ 10μM

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) 0.44 0.3 -140.43 2 7 -2 128 324.254 4 ↓
Mid Mid (pH 6-8) 0.44 -0.83 -53.4 3 7 -1 126 325.262 4 ↓

Analogs

8225887
8225887

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Popular Name: 2-(9H-fluoren-9-ylamino)-N-propyl-acetamide 2-(9H-fluoren-9-ylamino)-N-propy…

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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) 3.70 7.59 -42.74 3 3 1 46 281.379 5 ↓
Hi High (pH 8-9.5) 3.70 6.41 -11.12 2 3 0 41 280.371 5 ↓

Analogs

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Popular Name: 4-(9H-fluoren-3-yl)-4-oxo-N-[2-oxo-2-(prop-2-ynylamino)ethyl]butanamide 4-(9H-fluoren-3-yl)-4-oxo-N-[2-o…

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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) 2.75 8.02 -14.14 2 5 0 75 360.413 7 ↓

Analogs

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Popular Name: 4-(9H-fluoren-3-yl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]butanamide 4-(9H-fluoren-3-yl)-N-[2-oxo-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) 3.65 8.98 -13.24 2 4 0 58 346.43 7 ↓

Analogs

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Popular Name: (5-bromo-2-thienyl)-(9H-fluoren-3-yl)methanone (5-bromo-2-thienyl)-(9H-fluoren-…

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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) 6.10 11.55 -7.8 0 1 0 17 355.256 2 ↓

Analogs

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Popular Name: 9H-fluoren-3-yl-(5-methyl-2-furyl)methanone 9H-fluoren-3-yl-(5-methyl-2-fury…

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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) 4.74 11.06 -9.97 0 2 0 30 274.319 2 ↓

Analogs

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Popular Name: 9H-fluoren-3-yl-(3-methyl-2-thienyl)methanone 9H-fluoren-3-yl-(3-methyl-2-thie…

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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) 5.54 11.42 -9.76 0 1 0 17 290.387 2 ↓

Analogs

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Popular Name: 9H-fluoren-3-yl-(5-methyl-2-thienyl)methanone 9H-fluoren-3-yl-(5-methyl-2-thie…

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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) 5.39 11.65 -10.27 0 1 0 17 290.387 2 ↓

Analogs

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Popular Name: 9H-fluoren-3-yl(3-furyl)methanone 9H-fluoren-3-yl(3-furyl)methanone

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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) 4.21 9.94 -12.68 0 2 0 30 260.292 2 ↓

Analogs

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Popular Name: 9H-fluoren-3-yl-(3-methyl-2-furyl)methanone 9H-fluoren-3-yl-(3-methyl-2-fury…

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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) 4.90 10.92 -10.35 0 2 0 30 274.319 2 ↓

Analogs

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Popular Name: 9H-fluoren-3-yl-(2-methyl-3-furyl)methanone 9H-fluoren-3-yl-(2-methyl-3-fury…

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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) 4.43 10.73 -10.43 0 2 0 30 274.319 2 ↓

Analogs

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Popular Name: 9H-fluoren-3-yl(3-thienyl)methanone 9H-fluoren-3-yl(3-thienyl)methanone

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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) 4.85 10.82 -11.72 0 1 0 17 276.36 2 ↓

Analogs

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Popular Name: 9H-fluoren-3-yl(2-thienyl)methanone 9H-fluoren-3-yl(2-thienyl)methanone

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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) 5.17 10.75 -10.24 0 1 0 17 276.36 2 ↓

Analogs

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Popular Name: 9H-fluoren-3-yl(2-furyl)methanone 9H-fluoren-3-yl(2-furyl)methanone

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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) 4.52 10.23 -10.54 0 2 0 30 260.292 2 ↓

Analogs

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Popular Name: (5-bromo-2-furyl)-(9H-fluoren-3-yl)methanone (5-bromo-2-furyl)-(9H-fluoren-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) 5.46 10.96 -7.14 0 2 0 30 339.188 2 ↓

Analogs

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Popular Name: 2-hydrazino-5H-indeno[1,2-b]pyridine-3-carbonitrile 2-hydrazino-5H-indeno[1,2-b]pyri…

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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) 1.96 5.8 -8.3 3 4 0 75 222.251 1 ↓

Analogs

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Popular Name: (S)-(5-chloro-2-thienyl)-(9H-fluoren-3-yl)methanamine (S)-(5-chloro-2-thienyl)-(9H-flu…

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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) 5.47 10.1 -50.02 3 1 1 28 312.845 2 ↓
Mid Mid (pH 6-8) 5.47 9.77 -5.25 2 1 0 26 311.837 2 ↓

Analogs

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Popular Name: (R)-(5-chloro-2-thienyl)-(9H-fluoren-3-yl)methanamine (R)-(5-chloro-2-thienyl)-(9H-flu…

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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) 5.47 10.1 -50.02 3 1 1 28 312.845 2 ↓
Mid Mid (pH 6-8) 5.47 9.77 -5.3 2 1 0 26 311.837 2 ↓

Analogs

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Popular Name: 9H-fluoren-9-yl 9H-fluoren-9-yl

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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) 4.25 11.96 -17.06 0 4 0 47 363.438 5 ↓

Analogs

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Popular Name: 9H-fluoren-9-yl 9H-fluoren-9-yl

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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) 2.69 7.72 -20.74 0 5 0 64 331.393 5 ↓

Analogs

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Popular Name: 1,4-Piperidinedicarboxylic acid, 4-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, 1-(phenylmethyl) ester (9CI) 1,4-Piperidinedicarboxylic acid,…

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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 14.47 -57.68 1 8 -1 108 499.543 8 ↓

Analogs

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Popular Name: (3R)-3-(1-tert-butoxycarbonyl-4-piperidyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic (3R)-3-(1-tert-butoxycarbonyl-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) 6.44 13.56 -51.45 1 8 -1 108 493.58 9 ↓

Parameters Provided:

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filter.purchasability = annotated
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Structural Results Found: (before additional filtering)

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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 = 117 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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