UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

6519892
6519892
13122692
13122692

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Popular Name: 8-(2-cyclohexylethyl)-5-imino-4-(1H-indol-3-ylmethylene)-9-thia-2,6,7-triazabicyclo[4.3.0]nona-1,7-d 8-(2-cyclohexylethyl)-5-imino-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) 4.38 9.42 -19.07 2 6 0 86 405.527 4 ↓
Lo Low (pH 4.5-6) 4.38 9.88 -37.47 3 6 1 87 406.535 4 ↓

Analogs

5730576
5730576
16245328
16245328

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Popular Name: 6-hydroxy-5-(indol-3-ylidenemethyl)-1-(4-isopropylphenyl)-pyrimidine-2,4-dione 6-hydroxy-5-(indol-3-ylidenemeth…

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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) 3.75 -1.85 -12.4 2 6 0 87 373.412 3 ↓

Analogs

13123810
13123810

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Popular Name: 2-[(5-indol-3-ylidene-4H-1,3,4-oxadiazol-2-yl)sulfanyl]propanenitrile 2-[(5-indol-3-ylidene-4H-1,3,4-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) 2.83 3.3 -14.96 1 5 0 79 270.317 2 ↓

Analogs

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Popular Name: (2Z)-1,3,3-trimethyl-2-[(2E)-2-(1-methyl-2-phenyl-indol-1-ium-3-ylidene)ethylidene]indoline (2Z)-1,3,3-trimethyl-2-[(2E)-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) 3.66 16.57 -22.45 0 2 1 7 391.538 2 ↓

Analogs

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Popular Name: pyrrol-3-ylidenemethanediamine pyrrol-3-ylidenemethanediamine

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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) -0.35 -0.31 -19.19 4 3 0 65 109.132 0 ↓

Analogs

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Popular Name: (2S)-N-cyclopropyl-2-[[(5E)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]propanami (2S)-N-cyclopropyl-2-[[(5E)-4-cy…

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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) 2.84 8.44 -18.01 2 6 0 76 367.478 5 ↓

Analogs

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Popular Name: (2S)-2-[(5Z)-5-(5-nitro-2-oxo-indolin-3-ylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]propanoic (2S)-2-[(5Z)-5-(5-nitro-2-oxo-in…

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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) 1.66 4.86 -88.92 0 9 -2 144 377.359 3 ↓

Analogs

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Popular Name: (2R)-2-[(5Z)-5-(5-nitro-2-oxo-indolin-3-ylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]propanoic (2R)-2-[(5Z)-5-(5-nitro-2-oxo-in…

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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) 1.66 4.78 -88.71 0 9 -2 144 377.359 3 ↓

Analogs

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Popular Name: 3-[(4E)-4-(6-chloro-2-oxo-indolin-3-ylidene)-5-oxo-1H-pyrazol-3-yl]-4-hydroxy-1-methyl-quinolin-2-on 3-[(4E)-4-(6-chloro-2-oxo-indoli…

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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 1.08 -232.26 0 8 -3 130 417.788 1 ↓
Mid Mid (pH 6-8) 2.68 3.44 -141.98 1 8 -2 127 418.796 1 ↓
Mid Mid (pH 6-8) 2.68 2.74 -137.72 1 8 -2 127 418.796 1 ↓

Analogs

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Popular Name: 3-[(4E)-4-(6-bromo-2-oxo-indolin-3-ylidene)-5-oxo-1H-pyrazol-3-yl]-4-hydroxy-1-methyl-quinolin-2-one 3-[(4E)-4-(6-bromo-2-oxo-indolin…

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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) 3.27 1.19 -232.86 0 8 -3 130 462.239 1 ↓
Mid Mid (pH 6-8) 2.81 3.53 -141.77 1 8 -2 127 463.247 1 ↓
Mid Mid (pH 6-8) 2.81 2.84 -137.49 1 8 -2 127 463.247 1 ↓

Analogs

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Popular Name: 3-[(4E)-4-(5-bromo-2-oxo-indolin-3-ylidene)-5-oxo-1H-pyrazol-3-yl]-4-hydroxy-1-methyl-quinolin-2-one 3-[(4E)-4-(5-bromo-2-oxo-indolin…

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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) 3.27 1.19 -236.23 0 8 -3 130 462.239 1 ↓
Mid Mid (pH 6-8) 2.81 3.36 -146.29 1 8 -2 127 463.247 1 ↓
Mid Mid (pH 6-8) 2.81 2.84 -143.7 1 8 -2 127 463.247 1 ↓

Analogs

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Popular Name: 2,3,4,6,7,8-hexahydro-1H-carbazole 2,3,4,6,7,8-hexahydro-1H-carbazole

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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) 2.78 6.97 -9.55 0 1 0 13 173.259 0 ↓

Analogs

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Popular Name: 4-[(Z)-(2-methylindol-3-ylidene)methyl]-2-(5-methyl-2-thienyl)oxazol-5-ol 4-[(Z)-(2-methylindol-3-ylidene)…

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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 7.84 -41.78 0 4 -1 62 321.381 2 ↓
Lo Low (pH 4.5-6) 4.26 9.16 -12.28 1 4 0 63 322.389 2 ↓

Analogs

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Popular Name: (5E)-5-(2-hydroxyindol-3-ylidene)-3-methyl-2-thioxo-thiazolidin-4-one (5E)-5-(2-hydroxyindol-3-ylidene…

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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) 1.66 6.38 -11.32 1 4 0 55 276.342 0 ↓
Ref Reference (pH 7) 2.12 3.57 -8.35 1 4 0 55 276.342 0 ↓
Mid Mid (pH 6-8) 2.12 4.59 -45.73 0 4 -1 58 275.334 0 ↓

Analogs

4470172
4470172

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Popular Name: 3-[3-methoxy-4-(4-methylbenzyl)oxy-phenyl]-N'-[(E)-(2-methylindol-3-ylidene)methyl]-1H-pyrazole-5-ca 3-[3-methoxy-4-(4-methylbenzyl)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) 4.86 11.19 -28.15 3 8 0 101 493.567 8 ↓

Analogs

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Popular Name: 3-[2-(4-chlorobenzyl)oxyphenyl]-N'-[(Z)-indol-3-ylidenemethyl]-1H-pyrazole-5-carbohydrazide 3-[2-(4-chlorobenzyl)oxyphenyl]-…

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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) 5.23 10.83 -24.13 3 7 0 92 469.932 7 ↓

Analogs

2796120
2796120

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Popular Name: 2-[[(Z)-indol-3-ylidenemethyl]amino]-N-thiazol-2-yl-benzamide 2-[[(Z)-indol-3-ylidenemethyl]am…

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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) 3.46 8.6 -24.5 2 5 0 67 346.415 4 ↓
Lo Low (pH 4.5-6) 3.46 9.06 -31.43 3 5 1 68 347.423 4 ↓

Analogs

3519978
3519978
3519981
3519981
3520006
3520006
6831927
6831927
8735000
8735000

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Popular Name: N-(4-acetylphenyl)-2-[[(2E)-2-indol-3-ylidene-3H-1,3,4-oxadiazol-5-yl]thio]acetamide N-(4-acetylphenyl)-2-[[(2E)-2-in…

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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) 3.38 4.22 -19.07 2 7 0 101 392.44 6 ↓

Analogs

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Popular Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dipropylamino)methyl]-N'-[(Z)-indol-3-ylidenemethyl]triazole-4- 1-(4-amino-1,2,5-oxadiazol-3-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) 2.50 7.32 -50.79 5 12 1 154 451.515 10 ↓
Mid Mid (pH 6-8) 2.50 5.34 -17.95 4 12 0 153 450.507 10 ↓

Analogs

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Popular Name: (2Z)-2-(1H-benzimidazol-2-yl)-2-(5-bromo-2-hydroxy-indol-3-ylidene)acetonitrile (2Z)-2-(1H-benzimidazol-2-yl)-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) 3.83 3.61 -37.51 1 5 -1 84 364.182 1 ↓

Analogs

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Popular Name: (5Z)-3-allyl-2-imino-5-(5-nitro-2-oxo-indolin-3-ylidene)thiazolidin-4-one (5Z)-3-allyl-2-imino-5-(5-nitro-…

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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) 2.01 3.88 -35.17 1 8 -1 128 329.317 3 ↓

Parameters Provided:

ring.id = 1944
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 = 1944 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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