UCSF

ZINC76945344

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2012 36 No

Popular Name: (1S,2R,4aS,6aS,6aS,6bR,8S,8aR,9S,10R,11R,12aS,14bS)-8,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9 (1S,2R,4aS,6aS,6aS,6bR,8S,8aR,9S…

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CAS Number: 18449-41-7

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Vendors

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) 3.78 5.03 -56.31 4 6 -1 121 503.7 2 ↓
Lo Low (pH 4.5-6) 3.78 3.16 -11.15 5 6 0 118 504.708 2 ↓

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

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