UCSF

ZINC36532651

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2009 33 No

Popular Name: (4R,4aS,5aS,6S,12aR)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-4,4a, (4R,4aS,5aS,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) -0.06 -1.5 -53.59 6 10 -1 184 477.877 2 ↓
Hi High (pH 8-9.5) -0.06 -0.5 -107.14 5 10 -2 187 476.869 2 ↓
Mid Mid (pH 6-8) -0.06 0.09 -49.48 7 10 0 186 478.885 2 ↓
Mid Mid (pH 6-8) -0.64 1.81 -68.46 6 10 0 182 478.885 2 ↓
Mid Mid (pH 6-8) -0.64 2.81 -86.54 5 10 0 185 477.877 2 ↓
Lo Low (pH 4.5-6) -0.64 -0.59 -42.23 7 10 0 180 479.893 2 ↓

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