UCSF

ZINC36377937

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2009 32 No

Popular Name: (4R,4aS,5R,5aR,12aR)-4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methylene-1,11-dioxo-4,4a,5,5a-t (4R,4aS,5R,5aR,12aR)-4-(dimethyl…

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Vendors

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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) -1.02 -1.75 -54.93 6 10 -1 184 441.416 2 ↓
Hi High (pH 8-9.5) -0.57 1.4 -129.04 6 10 -1 188 441.416 2 ↓
Hi High (pH 8-9.5) -0.57 -0.69 -137.09 5 10 -2 187 440.408 2 ↓
Hi High (pH 8-9.5) -1.02 -0.75 -117.49 5 10 -2 187 440.408 2 ↓
Mid Mid (pH 6-8) -1.60 1.67 -83.64 6 10 0 182 442.424 2 ↓
Mid Mid (pH 6-8) -1.02 0.51 -56.23 7 10 0 186 442.424 2 ↓

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