UCSF

ZINC16121502

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2008 32 No

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

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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) -0.69 -2 -58.02 6 10 -1 184 443.432 2 ↓
Hi High (pH 8-9.5) -0.69 1.69 -181.01 5 10 -2 191 442.424 2 ↓
Hi High (pH 8-9.5) -1.27 -0.78 -134.04 4 10 -2 184 442.424 2 ↓
Hi High (pH 8-9.5) -1.27 -1.54 -65.3 5 10 -1 181 443.432 2 ↓
Hi High (pH 8-9.5) -0.69 -1.01 -114.76 5 10 -2 187 442.424 2 ↓
Mid Mid (pH 6-8) -0.24 -2.73 -67.76 8 10 1 183 445.448 2 ↓
Mid Mid (pH 6-8) -1.27 -0.49 -78.76 6 10 0 182 444.44 2 ↓
Mid Mid (pH 6-8) -1.27 0.27 -135.25 5 10 -1 185 443.432 2 ↓
Mid Mid (pH 6-8) -0.69 -0.35 -54.59 7 10 0 186 444.44 2 ↓

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