UCSF

ZINC40828726

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 31 No

Popular Name: (4S,4aS,5aS,12aR)-7-amino-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro (4S,4aS,5aS,12aR)-7-amino-4-(dim…

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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
Hi High (pH 8-9.5) -0.85 -1.16 -135.56 6 10 -2 193 427.413 2 ↓
Mid Mid (pH 6-8) -0.85 0.93 -128.12 7 10 -1 194 428.421 2 ↓

Activity (Go SEA)

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