UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[(4-methoxyphenyl)methyl]-5-(phenanthridin-6-ylmethylsulfanyl)-1,3,4-oxadiazole 2-[(4-methoxyphenyl)methyl]-5-(p…

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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) 5.65 7.8 -14.1 0 5 0 61 413.502 6 ↓

Analogs

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Popular Name: phenanthridin-6-ylmethyl phenanthridin-6-ylmethyl

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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) 5.58 12.01 -16.49 1 7 0 89 473.573 6 ↓

Analogs

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Popular Name: phenanthridin-6-ylmethyl phenanthridin-6-ylmethyl

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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) 4.33 9.69 -18.84 1 5 0 68 390.464 7 ↓

Analogs

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Popular Name: phenanthridin-6-ylmethyl phenanthridin-6-ylmethyl

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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) 5.00 14.71 -17.04 0 6 0 74 449.51 7 ↓

Analogs

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Popular Name: phenanthridin-6-ylmethyl phenanthridin-6-ylmethyl

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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) 5.48 11.61 -17.62 0 5 0 65 368.392 5 ↓
Lo Low (pH 4.5-6) 5.48 11.87 -38.12 1 5 1 66 369.4 5 ↓

Analogs

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Popular Name: phenanthridin-6-ylmethyl phenanthridin-6-ylmethyl

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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 6.83 -14.35 2 6 0 91 330.347 4 ↓
Lo Low (pH 4.5-6) 3.38 7.09 -28.66 3 6 1 92 331.355 4 ↓

Analogs

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Popular Name: 2-[4-methyl-2-(phenanthridin-6-ylmethylsulfanyl)thiazol-5-yl]acetamide 2-[4-methyl-2-(phenanthridin-6-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) 4.43 7.16 -19.23 2 4 0 69 379.51 5 ↓

Analogs

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Popular Name: 6-(1-naphthyl)-8-nitro-phenanthridine 6-(1-naphthyl)-8-nitro-phenanthr…

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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) 6.34 13.54 -11.72 0 4 0 59 350.377 2 ↓
Lo Low (pH 4.5-6) 6.34 13.76 -29.83 1 4 1 60 351.385 2 ↓

Analogs

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Popular Name: 8-nitro-6-(3-phenylphenyl)phenanthridine 8-nitro-6-(3-phenylphenyl)phenan…

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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) 6.95 14.54 -11.37 0 4 0 59 376.415 3 ↓
Lo Low (pH 4.5-6) 6.95 14.77 -33.13 1 4 1 60 377.423 3 ↓

Analogs

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Popular Name: 4-(phenanthridin-6-ylmethyl)-1,2,4-triazole-3-carbonitrile 4-(phenanthridin-6-ylmethyl)-1,2…

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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) 2.79 10.15 -18.08 0 5 0 67 285.31 2 ↓

Analogs

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Popular Name: 4-(phenanthridin-6-ylmethyl)piperazin-2-one 4-(phenanthridin-6-ylmethyl)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) 3.09 4.58 -15.92 1 4 0 45 291.354 2 ↓
Mid Mid (pH 6-8) 3.09 4.8 -35.52 2 4 1 46 292.362 2 ↓

Analogs

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Popular Name: 3-nitro-1-(phenanthridin-6-ylmethyl)pyridin-2-one 3-nitro-1-(phenanthridin-6-ylmet…

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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) 3.71 11.03 -33.85 0 6 0 81 331.331 3 ↓
Lo Low (pH 4.5-6) 3.71 12.28 -49.32 1 6 1 82 332.339 3 ↓

Analogs

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Popular Name: phenanthridin-6-ylmethyl phenanthridin-6-ylmethyl

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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) 5.13 9.87 -11.86 1 4 0 55 381.229 4 ↓

Analogs

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Popular Name: 5,6-dimethyl-3-oxo-2-(phenanthridin-6-ylmethyl)pyridazine-4-carbonitrile 5,6-dimethyl-3-oxo-2-(phenanthri…

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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) 3.89 9.43 -22.16 0 5 0 72 340.386 2 ↓
Lo Low (pH 4.5-6) 3.89 9.88 -33.62 1 5 1 73 341.394 2 ↓

Analogs

34581448
34581448
6117822
6117822
6118100
6118100

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Popular Name: 7,8-dimethoxyphenanthridine 7,8-dimethoxyphenanthridine

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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) 3.40 6.41 -9.92 0 3 0 31 239.274 2 ↓

Analogs

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Popular Name: 7,8-dimethoxy-5-methyl-phenanthridin-5-ium 7,8-dimethoxy-5-methyl-phenanthr…

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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) -0.28 8.2 -27.31 0 3 1 22 254.309 2 ↓

Parameters Provided:

ring.id = 15556
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 = 15556 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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