UCSF

ZINC34395032

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 34 No

Popular Name: (2S,4S,4aS,5aR,11aR,12aS)-4-(dimethylamino)-10,12a-dihydroxy-1,3,11,12-tetraoxo-7-propanoyl-4,4a,5,5 (2S,4S,4aS,5aR,11aR,12aS)-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
Ref Reference (pH 7) 0.07 3.39 -55.26 6 10 0 182 470.478 4 ↓
Hi High (pH 8-9.5) 0.07 2.52 -110.07 4 10 -2 184 468.462 4 ↓
Mid Mid (pH 6-8) 0.07 1.51 -59.64 5 10 -1 181 469.47 4 ↓

Activity (Go SEA)

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