UCSF

ZINC22652083

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2008 36 Yes

Popular Name: 5-[(4-tert-butylphenyl)methoxy]-2-[[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]methyl]pyran-4-one 5-[(4-tert-butylphenyl)methoxy]-…

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Download: MOL2 SDF SMILES Flexibase

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) 4.34 13.15 -20.97 0 6 0 63 492.591 8 ↓
Mid Mid (pH 6-8) 4.34 15.43 -70.87 1 6 1 64 493.599 8 ↓

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

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