UCSF

ZINC41585968

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-(4-methoxyphenyl)-8-[[4-(2-pyridyl)piperazin-1-yl]methyl]-2-(trifluoromethyl)chromen-4-o 7-hydroxy-3-(4-methoxyphenyl)-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) 5.12 9.11 -36.14 2 7 1 80 512.508 6 ↓
Hi High (pH 8-9.5) 5.12 9.54 -40.46 0 7 -1 82 510.492 6 ↓
Mid Mid (pH 6-8) 5.12 8.78 -11.09 1 7 0 79 511.5 6 ↓
Mid Mid (pH 6-8) 5.12 11 -50.32 2 7 1 80 512.508 6 ↓
Mid Mid (pH 6-8) 5.12 11.33 -107.21 3 7 2 81 513.516 6 ↓

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

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