UCSF

ZINC37866004

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2009 33 No

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

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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 -4.81 -55.02 7 11 -1 205 459.431 2 ↓
Hi High (pH 8-9.5) -1.61 -1.09 -177.04 6 11 -2 212 458.423 2 ↓
Hi High (pH 8-9.5) -1.61 -3.82 -111.39 6 11 -2 208 458.423 2 ↓
Mid Mid (pH 6-8) -2.19 -0.54 -95.9 6 11 -1 206 459.431 2 ↓
Mid Mid (pH 6-8) -1.16 -2.06 -94.48 7 11 -1 209 459.431 2 ↓
Mid Mid (pH 6-8) -2.19 -1.08 -56.29 7 11 0 203 460.439 2 ↓
Mid Mid (pH 6-8) -1.61 -3.21 -52.12 8 11 0 206 460.439 2 ↓

Activity (Go SEA)

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