UCSF

ZINC41585216

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 36 Yes

Popular Name: 3-(4-chlorophenyl)-7-hydroxy-8-[(4-phenylpiperazin-1-yl)methyl]-2-(trifluoromethyl)chromen-4-one 3-(4-chlorophenyl)-7-hydroxy-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) 6.64 10.49 -8.44 1 5 0 57 514.931 5 ↓
Hi High (pH 8-9.5) 6.64 11.26 -36.25 0 5 -1 60 513.923 5 ↓
Mid Mid (pH 6-8) 6.64 12.72 -50.2 2 5 1 58 515.939 5 ↓

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

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