UCSF

ZINC40442417

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 34 No

Popular Name: (4S,4aR,5S,5aR,6R,12aS)-4-(dimethylamino)-9-ethynyl-1,5,10,12,12a-pentahydroxy-6-methyl-3,11-dioxo-4 (4S,4aR,5S,5aR,6R,12aS)-4-(dimet…

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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) -1.95 3.01 -61.47 6 10 0 182 468.462 2 ↓
Hi High (pH 8-9.5) -1.95 1.26 -26.95 5 10 0 181 467.454 2 ↓
Hi High (pH 8-9.5) -1.95 2.26 -87.33 4 10 0 184 466.446 2 ↓
Hi High (pH 8-9.5) -1.36 2.81 -170.67 5 10 -2 191 466.446 2 ↓
Mid Mid (pH 6-8) -1.95 4.01 -77.9 5 10 0 185 467.454 2 ↓
Mid Mid (pH 6-8) -1.95 3.61 -44.51 5 10 0 185 467.454 2 ↓

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

No pre-computed analogs available. Try a structural similarity search.