UCSF

ZINC53633280

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 26 No

Popular Name: 1-[(2-methyl-1H-imidazol-5-yl)methyl]-4-[[5-(p-tolyl)-2,4-dihydrotriazol-3-yl]methyl]piperidine 1-[(2-methyl-1H-imidazol-5-yl)me…

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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) 2.44 9.55 -103.75 4 6 2 62 354.502 5 ↓
Mid Mid (pH 6-8) 2.44 7.32 -32.76 3 6 1 61 353.494 5 ↓
Mid Mid (pH 6-8) 2.44 9.1 -44.75 3 6 1 61 353.494 5 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.