UCSF

ZINC71389235

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2011 38 No

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

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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) 5.05 9.32 -36.97 2 8 1 90 528.507 7 ↓
Hi High (pH 8-9.5) 5.05 9.81 -39.76 0 8 -1 91 526.491 7 ↓
Mid Mid (pH 6-8) 5.05 11.26 -52.84 2 8 1 89 528.507 7 ↓
Mid Mid (pH 6-8) 5.05 11.56 -108.58 3 8 2 91 529.515 7 ↓
Mid Mid (pH 6-8) 5.05 9.03 -12.85 1 8 0 88 527.499 7 ↓

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

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