UCSF

ZINC35025000

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 33 No

Popular Name: (4S,4aS,5aS,6R,12aR)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-4,4a, (4S,4aS,5aS,6R,12aR)-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) -0.64 -0.49 -27.45 5 10 0 181 477.877 2 ↓
Hi High (pH 8-9.5) -0.64 0.51 -113.57 4 10 0 184 476.869 2 ↓
Mid Mid (pH 6-8) -0.64 2.19 -52.06 5 10 0 185 477.877 2 ↓
Mid Mid (pH 6-8) -0.64 1.44 -74.74 6 10 0 182 478.885 2 ↓
Mid Mid (pH 6-8) -0.64 2.44 -92.5 5 10 0 185 477.877 2 ↓
Lo Low (pH 4.5-6) -0.64 -0.91 -47.43 7 10 0 180 479.893 2 ↓

Activity (Go SEA)

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