UCSF

ZINC62153984

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2011 37 No

Popular Name: [(1S,3aR,6Z,9S,9aR,10R,11aS)-6-[[tert-butyl(methyl)amino]methylene]-1,5-dihydroxy-9-(methoxymethyl)- [(1S,3aR,6Z,9S,9aR,10R,11aS)-6-[…

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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) 2.67 8.68 -55.56 1 9 -1 125 516.611 6 ↓
Mid Mid (pH 6-8) 2.67 7.85 -12.94 2 9 0 123 517.619 6 ↓

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

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