UCSF

ZINC37246166

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 32 No

Popular Name: (4R,4aR,5aR,11aS,12aR)-11a-chloro-4-(dimethylamino)-3,10,12a-trihydroxy-6-methylene-1,11,12-trioxo-4 (4R,4aR,5aR,11aS,12aR)-11a-chlor…

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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) -0.40 4.17 -93.88 4 9 -1 165 459.862 2 ↓
Hi High (pH 8-9.5) -0.40 3.14 -198.71 2 9 -3 167 457.846 2 ↓
Hi High (pH 8-9.5) -0.40 2.48 -122.36 3 9 -2 164 458.854 2 ↓
Mid Mid (pH 6-8) -0.40 5.16 -162.77 3 9 -2 168 458.854 2 ↓
Mid Mid (pH 6-8) -0.40 4.41 -136.14 4 9 -1 165 459.862 2 ↓
Lo Low (pH 4.5-6) -0.40 3.61 -58.89 5 9 0 162 460.87 2 ↓

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.