UCSF

ZINC37246225

Draw Identity 99% 90% 80% 70%

Substance Information

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

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

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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) 0.76 3.1 -55.63 6 9 0 165 460.87 2 ↓
Hi High (pH 8-9.5) 0.76 3.72 -143.18 4 9 -2 171 458.854 2 ↓
Hi High (pH 8-9.5) 0.76 2.77 -108.56 4 9 -2 167 458.854 2 ↓
Hi High (pH 8-9.5) 0.03 1.51 -63.74 5 9 -1 164 459.862 1 ↓
Hi High (pH 8-9.5) 0.03 3.22 -108.58 5 9 -1 168 459.862 1 ↓
Mid Mid (pH 6-8) 0.76 4.19 -91.03 5 9 -1 168 459.862 2 ↓
Mid Mid (pH 6-8) 0.76 2.63 -72.97 5 9 -1 168 459.862 2 ↓
Mid Mid (pH 6-8) 0.76 1.67 -52.96 5 9 -1 164 459.862 2 ↓
Mid Mid (pH 6-8) 0.03 3.01 -74.27 6 9 0 165 460.87 1 ↓

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

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