UCSF

ZINC41584701

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-(3-methoxyphenoxy)-8-[[(2S)-2-(3-pyridyl)-1-piperidyl]methyl]chromen-4-one 7-hydroxy-3-(3-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) 4.48 10.19 -49.11 2 7 1 86 459.522 6 ↓
Hi High (pH 8-9.5) 4.48 10.97 -45.28 1 7 0 89 458.514 6 ↓
Hi High (pH 8-9.5) 4.48 8.32 -15.23 1 7 0 85 458.514 6 ↓

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

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