UCSF

ZINC40442138

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 26 No

Popular Name: (2R,5R)-N-[(1S,2R)-2-chloro-1-[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methylsulfanyl-tetrahydropyran-2- (2R,5R)-N-[(1S,2R)-2-chloro-1-[(…

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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) 0.63 0.38 -48.94 6 7 1 116 411.972 6 ↓
Hi High (pH 8-9.5) 0.63 -0.92 -12.47 5 7 0 111 410.964 6 ↓

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

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