UCSF

ZINC65505723

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 27 Yes

Popular Name: 5-[2-[(4S,5S)-5-[(4R)-2-ethyl-5-methyl-4H-imidazol-4-yl]-4-phenyl-imidazolidin-1-yl]ethylsulfanyl]-1 5-[2-[(4S,5S)-5-[(4R)-2-ethyl-5-…

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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 4.19 -29.63 4 7 1 87 384.533 7 ↓
Hi High (pH 8-9.5) 2.44 4.18 -47.12 3 7 0 85 383.525 7 ↓
Mid Mid (pH 6-8) 2.44 6.47 -103.89 5 7 2 88 385.541 7 ↓

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

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