UCSF

ZINC16890015

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2008 33 No

Popular Name: (4S,4aR,5S,5aR,6R,12aR)-4-dimethylamino-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-4,4a,5,5a-te (4S,4aR,5S,5aR,6R,12aR)-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) -1.61 -3.58 -54.65 7 11 -1 205 459.431 2 ↓
Hi High (pH 8-9.5) -1.61 -2.6 -111.36 6 11 -2 208 458.423 2 ↓
Hi High (pH 8-9.5) -1.61 -0 -168.45 6 11 -2 212 458.423 2 ↓
Mid Mid (pH 6-8) -1.61 -4.31 -52.47 9 11 1 203 461.447 2 ↓
Mid Mid (pH 6-8) -1.61 -2.13 -45.77 8 11 0 206 460.439 2 ↓
Mid Mid (pH 6-8) -1.16 -0.99 -86.23 7 11 -1 209 459.431 2 ↓

Activity (Go SEA)

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