UCSF

ZINC36372561

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2009 33 No

Popular Name: (4S,4aS,5aR,6S,12aS)-7-chloro-4-(dimethylamino)-1,6,10,12,12a-pentahydroxy-6-methyl-3,11-dioxo-4,4a, (4S,4aS,5aR,6S,12aS)-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 -0.67 -25.52 5 10 0 181 477.877 2 ↓
Hi High (pH 8-9.5) -0.06 2.03 -172.97 5 10 -2 191 476.869 2 ↓
Mid Mid (pH 6-8) -1.38 2.17 -107.82 5 10 -1 185 477.877 1 ↓
Mid Mid (pH 6-8) -1.38 -0.85 -61.76 5 10 -1 181 477.877 1 ↓
Mid Mid (pH 6-8) -0.64 1.58 -57.53 6 10 0 182 478.885 2 ↓
Mid Mid (pH 6-8) 0.39 1.15 -91.16 6 10 -1 188 477.877 2 ↓
Mid Mid (pH 6-8) -0.64 2.3 -53.49 5 10 0 185 477.877 2 ↓
Lo Low (pH 4.5-6) -1.38 0.41 -55.75 7 10 1 180 479.893 1 ↓

Activity (Go SEA)

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