UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

517126
517126
1574727
1574727
3873173
3873173
3873175
3873175
3881372
3881372

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Popular Name: Lycorine hydrochloride Lycorine hydrochloride

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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) 0.54 0.89 -42.24 3 5 1 63 288.323 0 ↓
Mid Mid (pH 6-8) 0.54 -1.82 -8.16 2 5 0 62 287.315 0 ↓

Analogs

40934443
40934443
35877978
35877978

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Popular Name: [[(2S)-2-methylbutanoyl]oxyBLAHyl] [[(2S)-2-methylbutanoyl]oxyBLAHyl]

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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) 4.78 12.82 -11.9 0 7 0 74 455.551 8 ↓
Mid Mid (pH 6-8) 4.78 14.35 -53.33 1 7 1 76 456.559 8 ↓

Analogs

40934443
40934443
35877978
35877978

Draw Identity 99% 90% 80% 70%

Popular Name: [[(2S)-2-methylbutanoyl]oxyBLAHyl] [[(2S)-2-methylbutanoyl]oxyBLAHyl]

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) 4.78 12.8 -12.07 0 7 0 74 455.551 8 ↓
Mid Mid (pH 6-8) 4.78 14.35 -53.36 1 7 1 76 456.559 8 ↓

Analogs

40934443
40934443

Draw Identity 99% 90% 80% 70%

Popular Name: [[(2S)-2-methylbutanoyl]oxyBLAHyl] [[(2S)-2-methylbutanoyl]oxyBLAHyl]

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) 4.78 12.54 -10.33 0 7 0 74 455.551 8 ↓
Mid Mid (pH 6-8) 4.78 14.06 -52.46 1 7 1 76 456.559 8 ↓

Analogs

40934443
40934443

Draw Identity 99% 90% 80% 70%

Popular Name: [[(2S)-2-methylbutanoyl]oxyBLAHyl] [[(2S)-2-methylbutanoyl]oxyBLAHyl]

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) 4.78 12.53 -10.53 0 7 0 74 455.551 8 ↓
Mid Mid (pH 6-8) 4.78 14.06 -52.83 1 7 1 76 456.559 8 ↓

Parameters Provided:

ring.id = 15
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 = 15 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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