UCSF

ZINC53631891

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 33 No

Popular Name: (4R,4aR,7S)-2-amino-4-(3-bromo-4,5-dimethoxy-phenyl)-6-[2-(1H-imidazol-5-yl)ethyl]-7-methyl-5-oxo-4a (4R,4aR,7S)-2-amino-4-(3-bromo-4…

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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) 2.94 6.94 -45.1 4 9 1 128 515.388 6 ↓
Mid Mid (pH 6-8) 2.94 6.47 -20.46 3 9 0 127 514.38 6 ↓

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

No pre-computed analogs available. Try a structural similarity search.