UCSF

ZINC39500367

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2010 27 Yes

Popular Name: (1S,4aR)-1-(3-chlorophenyl)-2-[[(2R)-4-methyl-2H-imidazol-2-yl]methyl]-1,3,4,4a-tetrahydropyrido[3,4 (1S,4aR)-1-(3-chlorophenyl)-2-[[…

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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) 4.62 7.54 -6.8 1 4 0 44 376.891 3 ↓
Lo Low (pH 4.5-6) 4.62 8.54 -42.16 2 4 1 45 377.899 3 ↓
Lo Low (pH 4.5-6) 4.62 9.37 -33.74 2 4 1 45 377.899 3 ↓
Lo Low (pH 4.5-6) 4.62 10.35 -116.77 3 4 2 47 378.907 3 ↓

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

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