UCSF

ZINC16916326

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2008 33 No

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

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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) -0.06 -2.62 -47.73 6 10 -1 184 477.877 2 ↓
Hi High (pH 8-9.5) -0.06 -1.62 -100.89 5 10 -2 187 476.869 2 ↓
Hi High (pH 8-9.5) -0.06 -0.52 -184.18 5 10 -2 191 476.869 2 ↓
Hi High (pH 8-9.5) 0.39 -3.46 -119.79 5 10 -2 187 476.869 2 ↓
Hi High (pH 8-9.5) -0.06 0.28 -225.01 4 10 -3 190 475.861 2 ↓
Mid Mid (pH 6-8) -0.06 -0.24 -51.08 7 10 0 186 478.885 2 ↓
Mid Mid (pH 6-8) 0.39 -1.31 -95.17 6 10 -1 188 477.877 2 ↓
Mid Mid (pH 6-8) -0.06 1.26 -120.72 6 10 -1 188 477.877 2 ↓
Mid Mid (pH 6-8) -0.06 -0.71 -128.27 5 10 -2 187 476.869 2 ↓

Activity (Go SEA)

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