UCSF

ZINC16916321

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Substance Information

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

Popular Name: (4R,4aR,5aR,6S,11aS,12aR)-7-chloro-4-dimethylamino-3,6,10,12a-tetrahydroxy-6-methyl-1,11,12-trioxo-4 (4R,4aR,5aR,6S,11aS,12aR)-7-chlo…

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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) -0.64 0.07 -109.84 5 10 -1 185 477.877 2 ↓
Hi High (pH 8-9.5) -0.64 -2.02 -116.63 4 10 -2 184 476.869 2 ↓
Hi High (pH 8-9.5) -0.79 -1.23 -60.97 6 10 -1 184 477.877 1 ↓
Hi High (pH 8-9.5) 0.39 -1.64 -120.77 5 10 -2 187 476.869 2 ↓
Hi High (pH 8-9.5) 0.39 0.05 -174.08 5 10 -2 191 476.869 2 ↓
Hi High (pH 8-9.5) -0.64 -2.81 -54.57 5 10 -1 181 477.877 2 ↓
Mid Mid (pH 6-8) 0.39 -2.34 -53.17 8 10 1 183 479.893 2 ↓
Mid Mid (pH 6-8) -0.64 -0.72 -60.57 6 10 0 182 478.885 2 ↓
Mid Mid (pH 6-8) 0.39 -0.72 -87.04 6 10 -1 188 477.877 2 ↓
Lo Low (pH 4.5-6) -0.79 -1.46 -45.6 8 10 1 183 479.893 1 ↓
Lo Low (pH 4.5-6) -0.79 -2.23 -15.87 7 10 0 182 478.885 1 ↓

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