UCSF

ZINC19203878

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (4R,4aS,5aR,6S,12aR)-7-chloro-4-dimethylamino-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-4,4a,5, (4R,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) -1.38 1.51 -51.34 6 10 0 182 478.885 1 ↓
Hi High (pH 8-9.5) 0.39 0.84 -182.99 5 10 -2 191 476.869 2 ↓
Hi High (pH 8-9.5) -0.64 -0.78 -124.35 4 10 -2 184 476.869 2 ↓
Hi High (pH 8-9.5) -0.64 -1.53 -58.98 5 10 -1 181 477.877 2 ↓
Hi High (pH 8-9.5) -0.64 1.33 -99.92 4 10 0 184 476.869 2 ↓
Mid Mid (pH 6-8) 0.39 0.14 -93.48 6 10 -1 188 477.877 2 ↓
Mid Mid (pH 6-8) -1.38 2.51 -106.8 5 10 -1 185 477.877 1 ↓
Mid Mid (pH 6-8) -1.38 0.05 -64.06 5 10 -1 181 477.877 1 ↓
Mid Mid (pH 6-8) -0.64 1.85 -67.47 6 10 0 182 478.885 2 ↓
Mid Mid (pH 6-8) -0.64 0.14 -69.26 6 10 0 182 478.885 2 ↓
Mid Mid (pH 6-8) -0.64 0.89 -121.99 5 10 -1 185 477.877 2 ↓
Mid Mid (pH 6-8) -0.64 0.3 -58.68 5 10 -1 181 477.877 2 ↓
Lo Low (pH 4.5-6) -0.64 -0.48 -42.18 7 10 0 180 479.893 2 ↓

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