UCSF

ZINC22666555

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 37 Yes

Popular Name: 5-[(4-tert-butylphenyl)methoxy]-2-[[4-(2,4,6-trimethylbenzoyl)piperazin-1-yl]methyl]pyran-4-one 5-[(4-tert-butylphenyl)methoxy]-…

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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) 4.81 13.97 -19.29 0 6 0 63 502.655 7 ↓
Mid Mid (pH 6-8) 4.81 16.25 -66.11 1 6 1 64 503.663 7 ↓

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

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