UCSF

ZINC34379779

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 31 No

Popular Name: (1R,3R,3aS,6aS)-1-(5-chloro-2-hydroxy-phenyl)-3-isobutyl-4,6-dioxo-5-phenyl-1,2,3a,6a-tetrahydropyrr (1R,3R,3aS,6aS)-1-(5-chloro-2-hy…

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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) 2.08 9.75 -39.57 3 7 0 114 442.899 5 ↓
Hi High (pH 8-9.5) 2.08 7.8 -43.26 2 7 -1 110 441.891 5 ↓
Hi High (pH 8-9.5) 2.08 9.19 -49.59 2 7 -1 110 441.891 5 ↓
Hi High (pH 8-9.5) 2.08 10.46 -57.54 2 7 -1 117 441.891 5 ↓

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