UCSF

ZINC19848859

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 32 No

Popular Name: (1R,3S,3aS,6aS)-1-(3,5-dichloro-2-hydroxy-phenyl)-3-isobutyl-4,6-dioxo-5-phenyl-1,2,3a,6a-tetrahydro (1R,3S,3aS,6aS)-1-(3,5-dichloro-…

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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) 2.48 8.17 -42.9 3 7 0 114 477.344 5 ↓
Mid Mid (pH 6-8) 2.48 8.83 -51.62 2 7 -1 117 476.336 5 ↓

Activity (Go SEA)

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