UCSF

ZINC41584691

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 35 Yes

Popular Name: 7-hydroxy-3-phenyl-8-[[(2S)-2-(3-pyridyl)-1-piperidyl]methyl]-2-(trifluoromethyl)chromen-4-one 7-hydroxy-3-phenyl-8-[[(2S)-2-(3…

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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) 5.62 12.2 -44.66 2 5 1 68 481.494 5 ↓
Hi High (pH 8-9.5) 5.62 12.76 -24.69 1 5 0 71 480.486 5 ↓
Hi High (pH 8-9.5) 5.62 11.16 -40.02 0 5 -1 69 479.478 5 ↓
Mid Mid (pH 6-8) 5.62 10.57 -10.17 1 5 0 67 480.486 5 ↓

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

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