UCSF

ZINC12402070

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 29 No

Popular Name: (1R,3S,3aR,6aS)-1-(5-bromo-2-hydroxy-phenyl)-5-(3-chlorophenyl)-3-methyl-4,6-dioxo-1,2,3a,6a-tetrahy (1R,3S,3aR,6aS)-1-(5-bromo-2-hyd…

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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) 1.59 6.98 -41.69 3 7 0 114 479.714 3 ↓
Ref Reference (pH 7) 1.59 8.12 -49.25 3 7 0 114 479.714 3 ↓
Hi High (pH 8-9.5) 1.59 7.13 -101.66 1 7 -2 113 477.698 3 ↓
Hi High (pH 8-9.5) 1.59 8.88 -52.34 2 7 -1 117 478.706 3 ↓
Mid Mid (pH 6-8) 1.59 7.31 -58.77 2 7 -1 110 478.706 3 ↓
Mid Mid (pH 6-8) 1.59 6.28 -50.29 2 7 -1 110 478.706 3 ↓

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