UCSF

ZINC59211079

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2011 21 No

Popular Name: [3-[(5S,6S)-6-amino-5-bicyclo[2.2.2]octanyl]-1-hydroxy-1-phosphono-propyl]phosphonic [3-[(5S,6S)-6-amino-5-bicyclo[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) -1.48 -2.54 -211.45 5 8 -2 171 341.237 5 ↓
Hi High (pH 8-9.5) -1.48 -1.43 -352.34 4 8 -3 174 340.229 5 ↓
Mid Mid (pH 6-8) -1.48 -3.66 -98.28 6 8 -1 169 342.245 5 ↓

Activity (Go SEA)

Rings

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

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