UCSF

ZINC38601579

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 32 No

Popular Name: (4S,4aR,6R,12R,12aR)-7-chloro-4-(dimethylamino)-1,6,10,12-tetrahydroxy-6-methyl-3,11-dioxo-4a,5,12,1 (4S,4aR,6R,12R,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) 0.14 1.91 -63.38 6 9 0 165 462.886 2 ↓
Hi High (pH 8-9.5) 0.14 1.1 -117.16 4 9 -2 167 460.87 2 ↓
Hi High (pH 8-9.5) 0.14 0.11 -56.59 5 9 -1 164 461.878 2 ↓
Hi High (pH 8-9.5) 0.14 2.89 -114.47 5 9 -1 168 461.878 2 ↓
Lo Low (pH 4.5-6) 0.14 -0.47 -59.6 7 9 1 163 463.894 2 ↓

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