UCSF

ZINC34387387

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 32 No

Popular Name: (1R,3R,3aS,6aS)-1-(5-bromo-2-methoxy-phenyl)-3-isobutyl-4,6-dioxo-5-phenyl-1,2,3a,6a-tetrahydropyrro (1R,3R,3aS,6aS)-1-(5-bromo-2-met…

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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) 2.28 12 -36.4 2 7 0 103 501.377 6 ↓
Hi High (pH 8-9.5) 2.28 10.11 -45.71 1 7 -1 99 500.369 6 ↓
Hi High (pH 8-9.5) 2.28 11.36 -50.02 1 7 -1 99 500.369 6 ↓

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