UCSF

ZINC38427191

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2010 27 No

Popular Name: [(1R,2S,3R,4S,4aR,11bR)-1,2,3,7-tetrahydroxy-6-oxo-2,3,4,4a,5,11b-hexahydro-1H-[1,3]dioxolo[4,5-j]ph [(1R,2S,3R,4S,4aR,11bR)-1,2,3,7-…

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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) -2.47 -7.08 -157.08 5 12 -2 201 403.236 2 ↓
Mid Mid (pH 6-8) -2.47 -8.22 -60.17 6 12 -1 198 404.244 2 ↓

Activity (Go SEA)

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