UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(aminomethyl)-6-bromo-N-(cyclopropylmethyl)-N-ethyl-tetralin-2-amine (2R)-2-(aminomethyl)-6-bromo-N-(…

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) 3.55 8.9 -126.67 4 2 2 32 339.321 5 ↓
Hi High (pH 8-9.5) 3.55 6.73 -1.52 2 2 0 29 337.305 5 ↓
Mid Mid (pH 6-8) 3.55 7.06 -46.2 3 2 1 31 338.313 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(aminomethyl)-6-bromo-N-(cyclopropylmethyl)-N-ethyl-tetralin-2-amine (2S)-2-(aminomethyl)-6-bromo-N-(…

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) 3.55 8.8 -131.12 4 2 2 32 339.321 5 ↓
Hi High (pH 8-9.5) 3.55 7.04 -1.11 2 2 0 29 337.305 5 ↓
Mid Mid (pH 6-8) 3.55 7.42 -44.37 3 2 1 31 338.313 5 ↓

Analogs

42555473
42555473
42555476
42555476
42580222
42580222
42580225
42580225

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-tetralin-2-amine (2R)-2-(aminomethyl)-N-(cyclopro…

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) 2.77 8.28 -120.45 4 2 2 32 260.425 5 ↓
Hi High (pH 8-9.5) 2.77 6.11 -1.76 2 2 0 29 258.409 5 ↓
Mid Mid (pH 6-8) 2.77 6.44 -42.97 3 2 1 31 259.417 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-tetralin-2-amine (2S)-2-(aminomethyl)-N-(cyclopro…

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) 2.77 8.18 -125.57 4 2 2 32 260.425 5 ↓
Hi High (pH 8-9.5) 2.77 6.42 -1.21 2 2 0 29 258.409 5 ↓
Mid Mid (pH 6-8) 2.77 7.76 -32.3 3 2 1 30 259.417 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N2-(cyclopropylmethyl)-N2-ethyl-tetralin-1,2-diamine (1S,2R)-N2-(cyclopropylmethyl)-N…

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) 1.20 7.8 -32.95 3 2 1 30 245.39 4 ↓
Hi High (pH 8-9.5) 1.20 6.34 -1.38 2 2 0 29 244.382 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N2-(cyclopropylmethyl)-N2-ethyl-tetralin-1,2-diamine (1S,2S)-N2-(cyclopropylmethyl)-N…

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) 1.20 7.83 -33.85 3 2 1 30 245.39 4 ↓
Hi High (pH 8-9.5) 1.20 5.91 -1.77 2 2 0 29 244.382 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N2-(cyclopropylmethyl)-N1,N2-diethyl-tetralin-1,2-diamine (1R,2S)-N2-(cyclopropylmethyl)-N…

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) 3.83 9.62 -34.31 2 2 1 16 273.444 6 ↓
Hi High (pH 8-9.5) 3.83 8.01 -1.62 1 2 0 15 272.436 6 ↓
Lo Low (pH 4.5-6) 3.83 10.54 -112.25 3 2 2 21 274.452 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N2-(cyclopropylmethyl)-N1,N2-diethyl-tetralin-1,2-diamine (1S,2S)-N2-(cyclopropylmethyl)-N…

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) 3.83 9.29 -34.31 2 2 1 16 273.444 6 ↓
Hi High (pH 8-9.5) 3.83 7.34 -0.81 1 2 0 15 272.436 6 ↓
Lo Low (pH 4.5-6) 3.83 10.39 -113.54 3 2 2 21 274.452 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N2-(cyclopropylmethyl)-N1,N2-diethyl-tetralin-1,2-diamine (1R,2R)-N2-(cyclopropylmethyl)-N…

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) 3.83 10.04 -31.47 2 2 1 16 273.444 6 ↓
Hi High (pH 8-9.5) 3.83 8.47 -0.9 1 2 0 15 272.436 6 ↓
Lo Low (pH 4.5-6) 3.83 10.33 -110.01 3 2 2 21 274.452 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N2-(cyclopropylmethyl)-N1,N2-diethyl-tetralin-1,2-diamine (1S,2R)-N2-(cyclopropylmethyl)-N…

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) 3.83 9.6 -30.61 2 2 1 16 273.444 6 ↓
Hi High (pH 8-9.5) 3.83 8.37 -1.01 1 2 0 15 272.436 6 ↓
Lo Low (pH 4.5-6) 3.83 10.56 -113.01 3 2 2 21 274.452 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N2-(cyclopropylmethyl)-N2-ethyl-N1-methyl-tetralin-1,2-diamine (1S,2R)-N2-(cyclopropylmethyl)-N…

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) 3.45 8.61 -34.17 2 2 1 16 259.417 5 ↓
Hi High (pH 8-9.5) 3.45 7.24 -1.79 1 2 0 15 258.409 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N2-(cyclopropylmethyl)-N2-ethyl-N1-methyl-tetralin-1,2-diamine (1S,2S)-N2-(cyclopropylmethyl)-N…

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) 3.45 8.25 -31.21 2 2 1 16 259.417 5 ↓
Hi High (pH 8-9.5) 3.45 7.61 -1.25 1 2 0 15 258.409 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N2-(cyclopropylmethyl)-N2-ethyl-6-methoxy-tetralin-1,2-diamine (1S,2R)-N2-(cyclopropylmethyl)-N…

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) 1.23 7.4 -126.77 4 3 2 41 276.424 5 ↓
Hi High (pH 8-9.5) 1.23 5.64 -2.86 2 3 0 38 274.408 5 ↓
Mid Mid (pH 6-8) 1.23 7.1 -35.66 3 3 1 40 275.416 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N2-(cyclopropylmethyl)-N2-ethyl-6-methoxy-tetralin-1,2-diamine (1S,2S)-N2-(cyclopropylmethyl)-N…

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) 1.23 7.41 -126.74 4 3 2 41 276.424 5 ↓
Hi High (pH 8-9.5) 1.23 5.07 -3.36 2 3 0 38 274.408 5 ↓
Mid Mid (pH 6-8) 1.23 7.1 -36.72 3 3 1 40 275.416 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N2-(cyclopropylmethyl)-N2-ethyl-N1-propyl-tetralin-1,2-diamine (1R,2S)-N2-(cyclopropylmethyl)-N…

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) 4.33 10.37 -34.89 2 2 1 16 287.471 7 ↓
Hi High (pH 8-9.5) 4.33 8.66 -1.5 1 2 0 15 286.463 7 ↓
Lo Low (pH 4.5-6) 4.33 11.55 -111.09 3 2 2 21 288.479 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N2-(cyclopropylmethyl)-N2-ethyl-N1-propyl-tetralin-1,2-diamine (1S,2S)-N2-(cyclopropylmethyl)-N…

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) 4.33 10.05 -34.6 2 2 1 16 287.471 7 ↓
Hi High (pH 8-9.5) 4.33 8.11 -0.7 1 2 0 15 286.463 7 ↓
Lo Low (pH 4.5-6) 4.33 11.15 -115.61 3 2 2 21 288.479 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N2-(cyclopropylmethyl)-N2-ethyl-N1-propyl-tetralin-1,2-diamine (1R,2R)-N2-(cyclopropylmethyl)-N…

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) 4.33 9.94 -31.8 2 2 1 16 287.471 7 ↓
Hi High (pH 8-9.5) 4.33 9.49 -0.85 1 2 0 15 286.463 7 ↓
Lo Low (pH 4.5-6) 4.33 11.15 -114.59 3 2 2 21 288.479 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N2-(cyclopropylmethyl)-N2-ethyl-N1-propyl-tetralin-1,2-diamine (1S,2R)-N2-(cyclopropylmethyl)-N…

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) 4.33 10.36 -30.89 2 2 1 16 287.471 7 ↓
Hi High (pH 8-9.5) 4.33 9.13 -0.86 1 2 0 15 286.463 7 ↓
Lo Low (pH 4.5-6) 4.33 11.32 -114.99 3 2 2 21 288.479 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N2-(cyclopropylmethyl)-N2-ethyl-6-methoxy-N1-methyl-tetralin-1,2-diamine (1S,2R)-N2-(cyclopropylmethyl)-N…

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) 3.49 7.91 -36.63 2 3 1 26 289.443 6 ↓
Hi High (pH 8-9.5) 3.49 6.54 -3.06 1 3 0 24 288.435 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N2-(cyclopropylmethyl)-N2-ethyl-6-methoxy-N1-methyl-tetralin-1,2-diamine (1S,2S)-N2-(cyclopropylmethyl)-N…

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) 3.49 7.56 -33.74 2 3 1 26 289.443 6 ↓
Hi High (pH 8-9.5) 3.49 6.93 -2.49 1 3 0 24 288.435 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[cyclopropylmethyl(ethyl)amino]tetralin-1-ol (1S,2R)-2-[cyclopropylmethyl(eth…

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) 2.90 7.48 -31.73 2 2 1 25 246.374 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[cyclopropylmethyl(ethyl)amino]tetralin-1-ol (1S,2S)-2-[cyclopropylmethyl(eth…

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) 2.90 7.54 -32.83 2 2 1 25 246.374 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[cyclopropylmethyl(ethyl)amino]-6-methoxy-tetralin-1-ol (1S,2R)-2-[cyclopropylmethyl(eth…

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) 2.93 6.74 -34.39 2 3 1 34 276.4 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[cyclopropylmethyl(ethyl)amino]-6-methoxy-tetralin-1-ol (1S,2S)-2-[cyclopropylmethyl(eth…

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) 2.93 7.17 -36.29 2 3 1 34 276.4 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-(cyclopropylmethylamino)tetralin-2-yl]methanol [(2R)-2-(cyclopropylmethylamino)…

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) 2.71 5.68 -36.23 3 2 1 37 232.347 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-(cyclopropylmethylamino)tetralin-2-yl]methanol [(2S)-2-(cyclopropylmethylamino)…

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) 2.71 5.68 -36.63 3 2 1 37 232.347 4 ↓

Parameters Provided:

ring.id = 324935
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 = 324935 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=324935&filter.purchasability=annotated

Embed Link to Results