UCSF

ZINC65531809

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 27 No

Popular Name: (5R)-5-[[(3R,5S)-2-(4-chloro-2-methyl-phenyl)-5-isobutyl-1,2,4-triazolidin-3-yl]methyl]-6-methyl-5H- (5R)-5-[[(3R,5S)-2-(4-chloro-2-m…

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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) 3.44 5.17 -9.56 4 7 0 93 391.903 5 ↓
Mid Mid (pH 6-8) 3.44 6.13 -51.71 5 7 1 98 392.911 5 ↓

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

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