UCSF

ZINC41585973

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 34 Yes

Popular Name: 7-hydroxy-3-(2-methoxyphenoxy)-8-[[4-(2-pyridyl)piperazin-1-yl]methyl]chromen-4-one 7-hydroxy-3-(2-methoxyphenoxy)-8…

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Download: MOL2 SDF SMILES Flexibase

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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) 3.70 8.76 -42.79 2 8 1 90 460.51 6 ↓
Hi High (pH 8-9.5) 3.70 9.2 -47.04 0 8 -1 91 458.494 6 ↓
Mid Mid (pH 6-8) 3.70 8.42 -18.18 1 8 0 88 459.502 6 ↓
Mid Mid (pH 6-8) 3.70 10.64 -56.58 2 8 1 89 460.51 6 ↓
Mid Mid (pH 6-8) 3.70 10.98 -112.94 3 8 2 91 461.518 6 ↓

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

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