UCSF

ZINC41584689

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 37 Yes

Popular Name: 7-hydroxy-3-(2-methoxyphenyl)-8-[[(2S)-2-(3-pyridyl)-1-piperidyl]methyl]-2-(trifluoromethyl)chromen- 7-hydroxy-3-(2-methoxyphenyl)-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) 5.63 11.63 -46.08 2 6 1 77 511.52 6 ↓
Hi High (pH 8-9.5) 5.63 10.49 -44.09 0 6 -1 79 509.504 6 ↓
Hi High (pH 8-9.5) 5.63 12.2 -27.59 1 6 0 80 510.512 6 ↓
Mid Mid (pH 6-8) 5.63 9.89 -12.67 1 6 0 76 510.512 6 ↓

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

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