UCSF

ZINC12401341

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 33 No

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

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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) 3.14 9.77 -29 3 7 0 114 511.789 5 ↓
Ref Reference (pH 7) 3.14 10.77 -39.84 3 7 0 114 511.789 5 ↓
Hi High (pH 8-9.5) 3.14 8.86 -39.59 2 7 -1 110 510.781 5 ↓
Hi High (pH 8-9.5) 3.14 10.24 -45.38 2 7 -1 110 510.781 5 ↓
Mid Mid (pH 6-8) 3.14 10.52 -50.21 2 7 -1 117 510.781 5 ↓
Mid Mid (pH 6-8) 3.14 11.52 -55.29 2 7 -1 117 510.781 5 ↓

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