UCSF

ZINC19868832

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 32 No

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

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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) -1.02 -2.15 -54.04 6 10 -1 184 441.416 2 ↓
Hi High (pH 8-9.5) -0.57 -2.7 -128.58 5 10 -2 187 440.408 2 ↓
Hi High (pH 8-9.5) -1.02 -1.14 -116.85 5 10 -2 187 440.408 2 ↓
Mid Mid (pH 6-8) -1.60 -0.62 -68.85 6 10 0 182 442.424 2 ↓
Mid Mid (pH 6-8) -1.60 0.2 -125.62 5 10 -1 185 441.416 2 ↓
Mid Mid (pH 6-8) -1.02 -0.25 -49.42 7 10 0 186 442.424 2 ↓

Activity (Go SEA)

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