UCSF

ZINC40447591

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 28 No

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

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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) 1.88 2.11 -47.6 6 7 1 116 440.026 8 ↓
Hi High (pH 8-9.5) 1.88 0.84 -13.01 5 7 0 111 439.018 8 ↓

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

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