UCSF

ZINC19868829

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Substance Information

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

Popular Name: (4S,4aR,5S,5aR,12aR)-4-dimethylamino-3,5,10,12,12a-pentahydroxy-6-methylene-1,11-dioxo-4,4a,5,5a-tet (4S,4aR,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 -1.84 -52.17 6 10 -1 184 441.416 2 ↓
Hi High (pH 8-9.5) -1.02 -0.87 -109.33 5 10 -2 187 440.408 2 ↓
Hi High (pH 8-9.5) -0.57 0.37 -121.15 6 10 -1 188 441.416 2 ↓
Hi High (pH 8-9.5) -0.57 -1.43 -132.93 5 10 -2 187 440.408 2 ↓
Mid Mid (pH 6-8) -1.02 -0.15 -50.42 7 10 0 186 442.424 2 ↓
Mid Mid (pH 6-8) -1.60 2.06 -64.65 6 10 0 182 442.424 2 ↓

Activity (Go SEA)

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