UCSF

ZINC14984391

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 32 No

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

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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) -0.87 0.21 -106.94 6 10 -1 188 443.432 2 ↓
Hi High (pH 8-9.5) -1.46 -0.28 -138.19 4 10 -2 184 442.424 2 ↓
Hi High (pH 8-9.5) -1.61 -0.73 -70.62 6 10 -1 184 443.432 1 ↓
Mid Mid (pH 6-8) -0.87 -1.96 -64.2 8 10 1 183 445.448 2 ↓
Mid Mid (pH 6-8) -1.46 0.21 -78.02 6 10 0 182 444.44 2 ↓
Mid Mid (pH 6-8) -1.46 0.98 -136.65 5 10 -1 185 443.432 2 ↓

Activity (Go SEA)

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