UCSF

ZINC22779651

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 33 No

Popular Name: (4S)-2-amino-4-(3,5-ditert-butyl-4-hydroxy-phenyl)-5-oxo-4H-pyrano[5,6-c]chromene-3-carbonitrile (4S)-2-amino-4-(3,5-ditert-butyl…

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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) 5.77 10.69 -18.64 3 6 0 109 444.531 3 ↓
Lo Low (pH 4.5-6) 5.77 11.02 -65.09 4 6 1 111 445.539 3 ↓

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

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