UCSF

ZINC36377967

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Substance Information

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

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

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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) -0.87 -2.1 -53.13 6 10 -1 184 443.432 2 ↓
Hi High (pH 8-9.5) -0.43 1.22 -114.87 6 10 -1 188 443.432 2 ↓
Hi High (pH 8-9.5) -0.43 -0.42 -129.38 5 10 -2 187 442.424 2 ↓
Mid Mid (pH 6-8) -1.46 1.84 -71.99 6 10 0 182 444.44 2 ↓
Mid Mid (pH 6-8) -0.87 -0.21 -49.81 7 10 0 186 444.44 2 ↓

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