Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_ghvf5p4grahmgijg8kc12cuiq4, O_RDWR) failed: No such file or directory (2) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109

Warning: session_write_close() [function.session-write-close]: Failed to write session data (files). Please verify that the current setting of session.save_path is correct (/tmp/session) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109
Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-4-[bis(cyclopropylmethyl)amino]-2-(isopropylamino)-2-methyl-pentan-1-ol (2S,4R)-4-[bis(cyclopropylmethyl…

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) 2.94 7.09 -92.41 4 3 2 41 284.488 10 ↓
Hi High (pH 8-9.5) 2.94 4.91 -32.42 3 3 1 40 283.48 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-4-[bis(cyclopropylmethyl)amino]-2-(isopropylamino)-2-methyl-pentan-1-ol (2R,4R)-4-[bis(cyclopropylmethyl…

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) 2.94 7.2 -92.57 4 3 2 41 284.488 10 ↓
Hi High (pH 8-9.5) 2.94 7.26 -29.56 3 3 1 40 283.48 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-4-[bis(cyclopropylmethyl)amino]-2-(isopropylamino)-2-methyl-pentan-1-ol (2S,4S)-4-[bis(cyclopropylmethyl…

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) 2.94 6.75 -92.41 4 3 2 41 284.488 10 ↓
Hi High (pH 8-9.5) 2.94 7.87 -26.07 3 3 1 40 283.48 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-4-[bis(cyclopropylmethyl)amino]-2-(isopropylamino)-2-methyl-pentan-1-ol (2R,4S)-4-[bis(cyclopropylmethyl…

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) 2.94 6.67 -91.05 4 3 2 41 284.488 10 ↓
Hi High (pH 8-9.5) 2.94 7.43 -29.9 3 3 1 40 283.48 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-5-[bis(cyclopropylmethyl)amino]-2-methyl-2-(propylamino)pentan-1-ol (2S)-5-[bis(cyclopropylmethyl)am…

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) 3.09 7.87 -89.93 4 3 2 41 284.488 12 ↓
Hi High (pH 8-9.5) 3.09 6.59 -35.53 3 3 1 37 283.48 12 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-5-[bis(cyclopropylmethyl)amino]-2-methyl-2-(propylamino)pentan-1-ol (2R)-5-[bis(cyclopropylmethyl)am…

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) 3.09 7.85 -89.71 4 3 2 41 284.488 12 ↓
Hi High (pH 8-9.5) 3.09 6.62 -34.41 3 3 1 37 283.48 12 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-5-[bis(cyclopropylmethyl)amino]-2-(isopropylamino)-2-methyl-pentan-1-ol (2S)-5-[bis(cyclopropylmethyl)am…

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) 2.88 7.77 -88.49 4 3 2 41 284.488 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-5-[bis(cyclopropylmethyl)amino]-2-(isopropylamino)-2-methyl-pentan-1-ol (2R)-5-[bis(cyclopropylmethyl)am…

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) 2.88 7.52 -88.12 4 3 2 41 284.488 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-6-[bis(cyclopropylmethyl)amino]-2-(ethylamino)-2-methyl-hexan-1-ol (2S)-6-[bis(cyclopropylmethyl)am…

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) 3.09 7.86 -82.93 4 3 2 41 284.488 12 ↓
Hi High (pH 8-9.5) 3.09 6.6 -35.16 3 3 1 37 283.48 12 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-6-[bis(cyclopropylmethyl)amino]-2-(ethylamino)-2-methyl-hexan-1-ol (2R)-6-[bis(cyclopropylmethyl)am…

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) 3.09 7.84 -83.03 4 3 2 41 284.488 12 ↓
Hi High (pH 8-9.5) 3.09 6.58 -34.23 3 3 1 37 283.48 12 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-6-[bis(cyclopropylmethyl)amino]-2-methyl-2-(propylamino)hexan-1-ol (2S)-6-[bis(cyclopropylmethyl)am…

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) 3.59 8.61 -83.96 4 3 2 41 298.515 13 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-6-[bis(cyclopropylmethyl)amino]-2-methyl-2-(propylamino)hexan-1-ol (2R)-6-[bis(cyclopropylmethyl)am…

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) 3.59 8.6 -84.07 4 3 2 41 298.515 13 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-4-[bis(cyclopropylmethyl)amino]-2-methyl-2-(propylamino)pentan-1-ol (2S,4R)-4-[bis(cyclopropylmethyl…

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) 3.15 7.29 -94.58 4 3 2 41 284.488 11 ↓
Hi High (pH 8-9.5) 3.15 5 -33.96 3 3 1 40 283.48 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-4-[bis(cyclopropylmethyl)amino]-2-methyl-2-(propylamino)pentan-1-ol (2R,4R)-4-[bis(cyclopropylmethyl…

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) 3.15 6.97 -95.31 4 3 2 41 284.488 11 ↓
Hi High (pH 8-9.5) 3.15 4.71 -33.99 3 3 1 40 283.48 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-4-[bis(cyclopropylmethyl)amino]-2-methyl-2-(propylamino)pentan-1-ol (2S,4S)-4-[bis(cyclopropylmethyl…

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) 3.15 7.53 -96.3 4 3 2 41 284.488 11 ↓
Hi High (pH 8-9.5) 3.15 8.04 -27.41 3 3 1 40 283.48 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-4-[bis(cyclopropylmethyl)amino]-2-methyl-2-(propylamino)pentan-1-ol (2R,4S)-4-[bis(cyclopropylmethyl…

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) 3.15 7.68 -93.36 4 3 2 41 284.488 11 ↓
Hi High (pH 8-9.5) 3.15 7.73 -30.37 3 3 1 40 283.48 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-6-[bis(cyclopropylmethyl)amino]-2-(isopropylamino)-2-methyl-hexan-1-ol (2S)-6-[bis(cyclopropylmethyl)am…

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) 3.39 8.47 -82.24 4 3 2 41 298.515 12 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-6-[bis(cyclopropylmethyl)amino]-2-(isopropylamino)-2-methyl-hexan-1-ol (2R)-6-[bis(cyclopropylmethyl)am…

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) 3.39 8.31 -82.49 4 3 2 41 298.515 12 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-cyclopropyl-2-(cyclopropylmethylamino)propan-1-ol (2S)-2-cyclopropyl-2-(cyclopropy…

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) 1.64 2.84 -31.1 3 2 1 37 170.276 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-cyclopropyl-2-(cyclopropylmethylamino)propan-1-ol (2R)-2-cyclopropyl-2-(cyclopropy…

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) 1.64 3.13 -31.38 3 2 1 37 170.276 5 ↓

Parameters Provided:

ring.id = 538739
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 = 538739 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=538739&filter.purchasability=annotated

Embed Link to Results