UCSF

ZINC05998596

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 22nd, 2006 23 No

Popular Name: 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-4H-chromen-4-one 2-(3,4-Dihydroxyphenyl)-5,7-dihy…

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CAS Numbers: 1486-70-0 , [1486-70-0]

Download: MOL2 SDF SMILES Flexibase

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) 1.96 -0.9 -15.42 4 7 0 120 316.265 2 ↓
Hi High (pH 8-9.5) 1.96 0.08 -58.21 3 7 -1 123 315.257 2 ↓
Mid Mid (pH 6-8) 2.22 -0.6 -46.22 3 7 -1 123 315.257 2 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links OMT1_CHRAE; OMT2_CHRAE ChEBI

Activity (Go SEA)

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