UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

29126452
29126452
29126453
29126453

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Popular Name: (1R)-N'-cyclopropyl-1-(9H-fluoren-2-yl)-N'-methyl-ethane-1,2-diamine (1R)-N'-cyclopropyl-1-(9H-fluore…

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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) 1.70 10.02 -38.25 3 2 1 30 279.407 4 ↓
Mid Mid (pH 6-8) 1.70 10.36 -131.43 4 2 2 32 280.415 4 ↓

Analogs

29126452
29126452
29126453
29126453

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N'-cyclopropyl-1-(9H-fluoren-2-yl)-N'-methyl-ethane-1,2-diamine (1S)-N'-cyclopropyl-1-(9H-fluore…

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) 1.70 9.94 -34.71 3 2 1 30 279.407 4 ↓
Mid Mid (pH 6-8) 1.70 10.34 -131.4 4 2 2 32 280.415 4 ↓

Analogs

44119184
44119184
44119188
44119188
44129316
44129316
44129319
44129319

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Popular Name: (2S)-1-(cyclopropylamino)-2-(9H-fluoren-2-yl)propan-2-ol (2S)-1-(cyclopropylamino)-2-(9H-…

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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) 3.73 8.28 -41.14 3 2 1 37 280.391 4 ↓

Analogs

44119184
44119184
44119188
44119188
44129316
44129316
44129319
44129319

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(cyclopropylamino)-2-(9H-fluoren-2-yl)propan-2-ol (2R)-1-(cyclopropylamino)-2-(9H-…

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) 3.73 8.26 -41.21 3 2 1 37 280.391 4 ↓

Parameters Provided:

ring.id = 138539
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 = 138539 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=138539&filter.purchasability=annotated

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