UCSF

ZINC26273920

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Substance Information

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

Popular Name: (4S,4aS,5S,5aS,6R,12aS)-4-dimethylamino-9-ethynyl-1,5,10,12,12a-pentahydroxy-6-methyl-3,11-dioxo-4a, (4S,4aS,5S,5aS,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 4.65 -65.69 6 10 0 188 467.454 2 ↓
Mid Mid (pH 6-8) -1.95 5.62 -170.75 5 10 -1 185 467.454 2 ↓
Mid Mid (pH 6-8) -1.95 4.97 -125.82 5 10 -1 185 467.454 2 ↓
Mid Mid (pH 6-8) -0.92 2.94 -83.83 5 10 0 187 466.446 2 ↓
Mid Mid (pH 6-8) -0.92 3.99 -87.64 6 10 0 188 467.454 2 ↓

Activity (Go SEA)

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