UCSF

ZINC71389233

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2011 39 No

Popular Name: 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-[[4-(2-pyridyl)piperazin-1-yl]methyl]-2-(trifluoromethyl)chromen 3-(3,4-dimethoxyphenyl)-7-hydrox…

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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) 4.71 9.02 -38.79 2 8 1 90 542.534 7 ↓
Hi High (pH 8-9.5) 4.71 9.44 -42 0 8 -1 91 540.518 7 ↓
Mid Mid (pH 6-8) 4.71 8.69 -13.44 1 8 0 88 541.526 7 ↓
Mid Mid (pH 6-8) 4.71 10.91 -53.47 2 8 1 89 542.534 7 ↓
Mid Mid (pH 6-8) 4.71 11.24 -110.78 3 8 2 91 543.542 7 ↓

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

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