UCSF

ZINC19203882

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2008 33 No

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

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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) -0.64 0.41 -124.99 5 10 -1 185 477.877 2 ↓
Hi High (pH 8-9.5) -0.64 0.16 -114.45 4 10 -2 184 476.869 2 ↓
Hi High (pH 8-9.5) -0.64 -2.7 -56.99 5 10 -1 181 477.877 2 ↓
Hi High (pH 8-9.5) -0.64 -1.92 -122.17 4 10 -2 184 476.869 2 ↓
Hi High (pH 8-9.5) 0.39 0.38 -188.27 5 10 -2 191 476.869 2 ↓
Mid Mid (pH 6-8) -0.64 -0.37 -69.68 6 10 0 182 478.885 2 ↓
Mid Mid (pH 6-8) -0.64 0.41 -124.93 5 10 -1 185 477.877 2 ↓
Mid Mid (pH 6-8) -0.64 1.34 -75.81 6 10 0 182 478.885 2 ↓
Mid Mid (pH 6-8) 0.39 -0.37 -96.7 6 10 -1 188 477.877 2 ↓
Lo Low (pH 4.5-6) -0.64 -0.99 -62.38 7 10 1 180 479.893 2 ↓

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