UCSF

ZINC38583072

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 30 No

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

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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) 0.57 0.69 -55.72 3 9 1 111 443.542 8 ↓
Mid Mid (pH 6-8) 0.57 2.96 -125.96 4 9 2 112 444.55 8 ↓
Mid Mid (pH 6-8) 0.57 1.79 -45.94 3 9 1 108 443.542 8 ↓
Mid Mid (pH 6-8) 0.57 -0.47 -12.01 2 9 0 107 442.534 8 ↓

Activity (Go SEA)

Rings

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