UCSF

ZINC71789581

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2012 33 No

Popular Name: (4S,4aS,5aR,6R,12aR)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-4,4a, (4S,4aS,5aR,6R,12aR)-7-chloro-4-…

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CAS Number: 64-72-2

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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) -0.06 -3 -51.77 6 10 -1 184 477.877 2 ↓
Hi High (pH 8-9.5) -0.06 -2.02 -103.1 5 10 -2 187 476.869 2 ↓
Mid Mid (pH 6-8) -0.06 -0.84 -48.57 7 10 0 186 478.885 2 ↓

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

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