UCSF

ZINC26273937

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2009 34 No

Popular Name: (4S,4aR,5S,5aR,6R,12aS)-4-dimethylamino-9-ethynyl-1,5,10,12,12a-pentahydroxy-6-methyl-3,11-dioxo-4a, (4S,4aR,5S,5aR,6R,12aS)-4-dimeth…

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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) -1.36 1.8 -89.63 6 10 -1 188 467.454 2 ↓
Hi High (pH 8-9.5) -1.95 2.33 -181.29 4 10 -2 188 466.446 2 ↓
Mid Mid (pH 6-8) -1.95 2.04 -137.95 5 10 -1 185 467.454 2 ↓
Mid Mid (pH 6-8) -1.95 1.56 -98.22 5 10 -1 185 467.454 2 ↓
Mid Mid (pH 6-8) -0.92 0.08 -137.27 5 10 -2 187 466.446 2 ↓
Mid Mid (pH 6-8) -0.92 2.22 -117.51 6 10 -1 188 467.454 2 ↓

Activity (Go SEA)

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