UCSF

ZINC40233973

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2010 29 No

Popular Name: [(1S,2S,3S,4S,5R)-3-hydroxy-2-[[(1S)-1-phenylethyl]amino]-6,8-dioxabicyclo[3.2.1]octan-4-yl] [(1S,2S,3S,4S,5R)-3-hydroxy-2-[[…

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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) 2.38 5.05 -49.75 3 7 1 99 420.507 6 ↓
Hi High (pH 8-9.5) 2.38 4.88 -54.82 1 7 -1 97 418.491 6 ↓
Mid Mid (pH 6-8) 2.38 5.77 -43.98 2 7 0 102 419.499 6 ↓

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

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