UCSF

ZINC19336068

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2008 28 Yes

Popular Name: bis(4-hydroxy-2-oxo-2H-chromen-3-yl)acetic acid bis(4-hydroxy-2-oxo-2H-chromen-3…

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Other Names:

MFCD00521052

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) 2.17 9.6 -277.68 0 8 -3 147 377.284 3 ↓
Mid Mid (pH 6-8) 2.17 7.12 -88.65 2 8 -1 141 379.3 3 ↓
Mid Mid (pH 6-8) 2.17 9.36 -282.65 0 8 -3 147 377.284 3 ↓
Mid Mid (pH 6-8) 2.17 9.27 -168.59 1 8 -2 144 378.292 3 ↓

Activity (Go SEA)

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