UCSF

ZINC16605477

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2008 33 No

Popular Name: (4R,4aS,5aR,6S,12aS)-7-chloro-4-dimethylamino-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-4,4a,5, (4R,4aS,5aR,6S,12aS)-7-chloro-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) -0.06 -0.03 -52.74 6 10 -1 184 477.877 2 ↓
Hi High (pH 8-9.5) 0.39 -0.93 -115.12 5 10 -2 187 476.869 2 ↓
Hi High (pH 8-9.5) -0.06 0.96 -110.93 5 10 -2 187 476.869 2 ↓
Mid Mid (pH 6-8) -0.06 -2.83 -52.4 8 10 1 183 479.893 2 ↓
Mid Mid (pH 6-8) -0.64 -0.12 -96.35 5 10 -1 185 477.877 2 ↓
Mid Mid (pH 6-8) -0.64 -0.91 -61.91 6 10 0 182 478.885 2 ↓
Mid Mid (pH 6-8) -0.06 -0.04 -41.69 7 10 0 186 478.885 2 ↓

Activity (Go SEA)

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