UCSF

ZINC26268435

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2009 41 No

Popular Name: (4S,4aS,5S,5aR,6R,12aS)-4-dimethylamino-1,5,10,12,12a-pentahydroxy-6-methyl-9-(4-nitrophenyl)-3,11-d (4S,4aS,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
Mid Mid (pH 6-8) 1.07 5.42 -137.08 5 13 -2 233 563.519 4 ↓
Mid Mid (pH 6-8) 1.07 6.46 -117.42 6 13 -1 234 564.527 4 ↓

Activity (Go SEA)

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