UCSF

ZINC65501290

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 28 No

Popular Name: (4R,5S)-1,5-dimethyl-4-[[methyl-[[(2R)-5-methyl-2H-benzimidazol-2-yl]methyl]amino]methyl]-2-phenyl-p (4R,5S)-1,5-dimethyl-4-[[methyl-…

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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) 3.84 7.56 -96.43 2 6 2 55 379.508 5 ↓
Mid Mid (pH 6-8) 3.84 9.54 -212.08 3 6 3 56 380.516 5 ↓

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

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