UCSF

ZINC65505216

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 28 Yes

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

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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) 3.38 4.95 -173.5 5 6 3 73 375.5 5 ↓
Hi High (pH 8-9.5) 3.38 5.17 -109.63 4 6 2 72 374.492 5 ↓
Mid Mid (pH 6-8) 3.38 7.35 -323.24 6 6 4 74 376.508 5 ↓

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

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