UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(fluoren-9-ylideneamino)-2-(5-phenyltetrazol-2-yl)acetamide N-(fluoren-9-ylideneamino)-2-(5-…

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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) 4.14 0.62 -23.52 1 7 0 85 380.411 4 ↓

Analogs

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Popular Name: [2,7-bis(methylsulfamoyl)-4,5-dinitro-fluoren-9-ylidene]aminourea [2,7-bis(methylsulfamoyl)-4,5-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) 0.83 -12.52 -24.29 5 16 0 251 513.47 7 ↓

Analogs

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Popular Name: 9-(hydroxyimino)-4,5-bisnitro-N~2~,N~7~-dimethyl-9H-fluorene-2,7-disulfonamide 9-(hydroxyimino)-4,5-bisnitro-N~…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.48 -9.97 -22 3 14 0 216 471.429 6 ↓

Analogs

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Popular Name: [2-oxo-2-(4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-8-yl)-ethyl] [2-oxo-2-(4-oxo-2-oxa-5-azabicyc…

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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) 3.93 1.08 -19.25 1 8 0 103 442.427 7 ↓

Analogs

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Popular Name: tetramethyl tetramethyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.27 9.28 -19.47 1 11 0 139 432.385 11 ↓

Analogs

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Popular Name: 2-benzo[d]1,3-dioxolen-5-yl-3-((3-methoxyphenyl)amino)inden-1-one 2-benzo[d]1,3-dioxolen-5-yl-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) 5.88 7.82 -50.23 0 5 -1 63 370.384 3 ↓
Lo Low (pH 4.5-6) 5.68 9.44 -11.18 1 5 0 57 371.392 4 ↓

Analogs

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Popular Name: 3,5-dichloro-N-[(2,7-diallyloxyfluoren-9-ylidene)amino]pyridin-4-amine 3,5-dichloro-N-[(2,7-diallyloxyf…

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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) 7.11 12.07 -10.71 1 5 0 56 452.341 8 ↓

Analogs

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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) 6.41 12.33 -16.21 1 6 0 69 446.528 10 ↓

Analogs

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Popular Name: 4-[N'-(2,7-diallyloxyfluoren-9-ylidene)hydrazino]benzoic 4-[N'-(2,7-diallyloxyfluoren-9-y…

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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) 6.66 12.28 -61.48 1 6 -1 83 425.464 9 ↓

Analogs

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Popular Name: N-[(2,7-diallyloxyfluoren-9-ylidene)amino]-1,3-benzothiazol-2-amine N-[(2,7-diallyloxyfluoren-9-ylid…

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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) 8.21 13.72 -17.74 1 5 0 59 439.54 7 ↓

Analogs

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Popular Name: N-[(2,7-diallyloxyfluoren-9-ylidene)amino]-4-nitro-aniline N-[(2,7-diallyloxyfluoren-9-ylid…

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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) 6.71 13.32 -12.62 1 7 0 89 427.46 9 ↓

Analogs

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Popular Name: 3-[N'-(2,7-diallyloxyfluoren-9-ylidene)hydrazino]benzoic 3-[N'-(2,7-diallyloxyfluoren-9-y…

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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) 6.63 12.26 -60.2 1 6 -1 83 425.464 9 ↓

Analogs

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Popular Name: 2,4,6-trichloro-N-[(2,7-diallyloxyfluoren-9-ylidene)amino]aniline 2,4,6-trichloro-N-[(2,7-diallylo…

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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) 8.49 14.4 -9.82 1 4 0 43 485.798 8 ↓

Analogs

13013417
13013417

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Popular Name: (2R)-1-[4-[N-(fluoren-9-ylideneamino)-C-methyl-carbonimidoyl]phenyl]sulfonylpiperidine-2-carboxylic (2R)-1-[4-[N-(fluoren-9-ylidenea…

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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) 3.81 12.79 -68.2 0 7 -1 102 486.573 5 ↓

Analogs

13013415
13013415

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Popular Name: (2S)-1-[4-[N-(fluoren-9-ylideneamino)-C-methyl-carbonimidoyl]phenyl]sulfonylpiperidine-2-carboxylic (2S)-1-[4-[N-(fluoren-9-ylidenea…

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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) 3.81 12.78 -62.49 0 7 -1 102 486.573 5 ↓

Analogs

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Popular Name: 1-[4-[N-(fluoren-9-ylideneamino)-C-methyl-carbonimidoyl]phenyl]sulfonylpiperidine-4-carboxylic 1-[4-[N-(fluoren-9-ylideneamino)…

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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) 5.15 12.08 -60.8 0 7 -1 102 486.573 5 ↓

Analogs

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Popular Name: 2-thienyl-N-{3-[(2-thienylmethyl)amino]-1H-inden-1-yliden}methanaminium chloride 2-thienyl-N-{3-[(2-thienylmethyl…

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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) 5.20 9.84 -25.46 2 2 1 26 337.493 5 ↓
Ref Reference (pH 7) 5.20 10.12 -26.38 2 2 1 26 337.493 5 ↓
Hi High (pH 8-9.5) 5.20 9.1 -8.41 1 2 0 24 336.485 5 ↓

Analogs

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Popular Name: diaminoBLAHone diaminoBLAHone

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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) 1.22 -0.2 -12.01 6 8 0 142 278.279 0 ↓
Lo Low (pH 4.5-6) 1.22 0.26 -28.04 7 8 1 143 279.287 0 ↓
Lo Low (pH 4.5-6) 1.22 0.26 -28.26 7 8 1 143 279.287 0 ↓

Analogs

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Popular Name: [(2-methyl-3-phenyl-inden-1-ylidene)amino]urea [(2-methyl-3-phenyl-inden-1-ylid…

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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 6.52 -8.51 3 4 0 67 277.327 2 ↓

Analogs

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Popular Name: 4-nitro-N-[(3-phenylinden-1-ylidene)amino]aniline 4-nitro-N-[(3-phenylinden-1-ylid…

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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) 5.96 13.12 -9.54 1 5 0 70 341.37 4 ↓

Analogs

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Popular Name: [(9Z)-9-hydroxyiminofluoren-4-yl]-morpholino-methanone [(9Z)-9-hydroxyiminofluoren-4-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) 2.38 4.98 -12.48 1 5 0 62 308.337 1 ↓

Analogs

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Popular Name: (9E)-N-(diaminomethylene)-9-hydroxyimino-8-(hydroxymethyl)fluorene-2-carboxamide (9E)-N-(diaminomethylene)-9-hydr…

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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) 1.02 0.63 -17.94 6 7 0 134 310.313 2 ↓

Analogs

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Popular Name: N'-ethyl-N-(fluoren-9-ylideneamino)-1-sulfanyl-formamidine N'-ethyl-N-(fluoren-9-ylideneami…

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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) 4.30 9.38 -16.63 2 3 0 38 281.384 3 ↓
Ref Reference (pH 7) 4.26 9.49 -11.51 2 3 0 36 281.384 4 ↓

Analogs

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Popular Name: 4-amino-N-[(Z)-BLAHylideneamino]furazan-3-carboxamide 4-amino-N-[(Z)-BLAHylideneamino]…

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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) 1.88 2.02 -13.21 3 12 0 171 349.27 2 ↓

Analogs

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Popular Name: N-(fluoren-9-ylideneamino)-4-[(5-phenyltetrazol-2-yl)methyl]benzamide N-(fluoren-9-ylideneamino)-4-[(5…

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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) 5.82 13.45 -21.87 1 7 0 85 456.509 5 ↓

Analogs

4168023
4168023

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Popular Name: 2-{[4-(4-chlorophenyl)-3-cyano-5-oxo-4,5-dihydro-1H-indeno[1,2-b]pyridin-2-yl]sulfanyl}acetamide 2-{[4-(4-chlorophenyl)-3-cyano-5…

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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) 3.78 7.18 -46.66 2 5 -1 102 406.874 4 ↓

Analogs

4168021
4168021

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Popular Name: 2-{[4-(4-chlorophenyl)-3-cyano-5-oxo-4,5-dihydro-1H-indeno[1,2-b]pyridin-2-yl]sulfanyl}acetamide 2-{[4-(4-chlorophenyl)-3-cyano-5…

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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) 3.78 7.18 -46.68 2 5 -1 102 406.874 4 ↓

Analogs

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Popular Name: 2,7-bis(2-diethylaminoethoxy)fluoren-9-one 2,7-bis(2-diethylaminoethoxy)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) 5.25 11.62 -81.06 3 6 2 60 427.589 12 ↓
Hi High (pH 8-9.5) 5.25 7.25 -12.38 1 6 0 58 425.573 12 ↓
Hi High (pH 8-9.5) 5.25 9.42 -44.78 2 6 1 59 426.581 12 ↓

Analogs

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Popular Name: N-[(1-butyltetrazol-5-yl)methoxy]fluoren-9-imine N-[(1-butyltetrazol-5-yl)methoxy…

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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) 4.41 10.27 -13.04 0 6 0 65 333.395 6 ↓

Parameters Provided:

ring.id = 4758
filter.purchasability = annotated
page.format = targets
page.num = 1

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 = 4758 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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