UCSF

ZINC67172531

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2011 33 No

Popular Name: (4S,4aS,5S,5aS,6R,12aR)-4-(dimethylamino)-3,5,6,10,11,12a-hexahydroxy-6-methyl-1,12-dioxo-4,4a,5,5a- (4S,4aS,5S,5aS,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) -2.19 -0.37 -102.39 6 11 -1 206 459.431 2 ↓
Hi High (pH 8-9.5) -2.19 0.65 -174.84 5 11 -2 208 458.423 2 ↓
Hi High (pH 8-9.5) -2.19 -1.53 -219.42 4 11 -3 207 457.415 2 ↓
Mid Mid (pH 6-8) -1.61 -4.42 -52.89 7 11 -1 205 459.431 2 ↓
Mid Mid (pH 6-8) -1.61 -2.29 -56.83 8 11 0 206 460.439 2 ↓

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