UCSF

ZINC26268460

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2009 39 No

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

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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
Mid Mid (pH 6-8) 0.19 2.58 -140.79 7 11 -2 213 533.537 3 ↓
Mid Mid (pH 6-8) 0.19 3.62 -119.77 8 11 -1 214 534.545 3 ↓

Activity (Go SEA)

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