UCSF

ZINC08453187

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2006 35 Yes

Popular Name: 4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-2H-chromen-3-yl)(4-methoxyphenyl)methyl]-6-methyl-2H-chromen-2-one 4-hydroxy-3-[(4-hydroxy-6-methyl…

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Other Names:

MFCD03083840

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) 5.43 12.28 -143.43 0 7 -2 116 468.461 4 ↓
Mid Mid (pH 6-8) 5.43 11.06 -25.12 2 7 0 110 470.477 4 ↓
Mid Mid (pH 6-8) 5.43 11.65 -60.65 1 7 -1 113 469.469 4 ↓

Activity (Go SEA)

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