UCSF

ZINC42685602

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2010 32 No

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

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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 -2.55 -48.84 6 10 -1 184 441.416 2 ↓
Hi High (pH 8-9.5) -1.02 -1.55 -108.01 5 10 -2 187 440.408 2 ↓
Hi High (pH 8-9.5) -0.57 -1.19 -138.34 5 10 -2 187 440.408 2 ↓
Mid Mid (pH 6-8) -1.02 -0.43 -53.2 7 10 0 186 442.424 2 ↓
Mid Mid (pH 6-8) -1.60 1.87 -73.49 6 10 0 182 442.424 2 ↓

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