UCSF

ZINC40465245

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 32 No

Popular Name: (4S,4aS,5aR,6R,12aS)-4-(dimethylamino)-1,6,10,12,12a-pentahydroxy-6-methyl-3,11-dioxo-4,4a,5,5a-tetr (4S,4aS,5aR,6R,12aS)-4-(dimethyl…

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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) -0.69 0.09 -103.95 6 10 -1 188 443.432 2 ↓
Hi High (pH 8-9.5) -0.24 -1.91 -137.14 5 10 -2 187 442.424 2 ↓
Hi High (pH 8-9.5) -0.24 -0.92 -239.54 4 10 -3 190 441.416 2 ↓
Hi High (pH 8-9.5) -0.69 1.08 -187.95 5 10 -2 191 442.424 2 ↓
Mid Mid (pH 6-8) -1.27 0.9 -63.51 6 10 0 182 444.44 2 ↓
Mid Mid (pH 6-8) -1.27 1.61 -61.81 5 10 0 185 443.432 2 ↓
Mid Mid (pH 6-8) -0.24 0.18 -127.08 6 10 -1 188 443.432 2 ↓

Activity (Go SEA)

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